SCHEMBL276916

SCHEMBL276916

CCOC(=O)c1c[nH]c(C=O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
ERN1 O75460 1/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
CACNA1C Q13936 2/20 0.39
CACNA1D Q01668 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL276058 0.82 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL3609494 0.82 DNA2 (0.46) ALDH1A1MAPTGAALMNAHTT
SCHEMBL3609500 0.82 DNA2 (0.46) ALDH1A1MAPTGAALMNAHTT
SCHEMBL30740973 0.80 AR (0.48) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL276917 0.80 AR (0.59) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL3614741 0.79 AR (0.40) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL4049652 0.78 JAK2 (0.50) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL30741043 0.78 KDM4E (0.47) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL1920261 0.77 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL1068721 0.77 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2GAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829185-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2014-09-09 US disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 US disclosed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338595-B2 Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
EP-2465505-A1 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis Bayer HealthCare LLC (US) 2012-06-20 EP disclosed
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-7563791-B2 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-21 US disclosed
EP-1957077-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer HealthCare LLC (US) 2008-08-20 EP disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-06 US disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 ALDH1A1 3300/4885MAPT 888/4885SMN1; SMN2 4427/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 ALDH1A1 3300/4885MAPT 888/4885SMN1; SMN2 4427/4885
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 ALDH1A1 3137/4885MAPT 1376/4885SMN1; SMN2 4070/4885
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents MKI67, CCNA1, CCNI ALDH1A1 2157/4885MAPT 2446/4885SMN1; SMN2 3792/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 ALDH1A1 3137/4885MAPT 1376/4885SMN1; SMN2 4070/4885
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 ALDH1A1 3546/4885MAPT 1008/4885SMN1; SMN2 4406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.