SCHEMBL328009

SCHEMBL328009

CCOC(=O)c1c[nH]c(C#N)c1-c1ccc(N=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 1/20 0.39
JAK3 P52333 6/20 0.38
JAK2 O60674 5/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CLEC4M Q9H2X3 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL14494609 0.85 JAK2 (0.53) ALDH1A1KMT2ALMNAKDM4EGLA
SCHEMBL4045580 0.85 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL327876 0.82 L3MBTL1 (0.39) ALDH1A1KMT2AKDM4EGLAATM
SCHEMBL276059 0.81 AR (0.56) KMT2AMAPTMEN1HTTGAA
SCHEMBL10272896 0.81 MAPT (0.42) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL327910 0.81 JAK2 (0.41) ALDH1A1KMT2AMAPTMEN1JAK3
SCHEMBL742641 0.77 JAK3 (0.42) ALDH1A1KMT2AKDM4EGLAATM
SCHEMBL10273286 0.75 KDM4E (0.41) ALDH1A1KMT2ALMNAKDM4EGLA
SCHEMBL328001 0.74 TSHR (0.44) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL744523 0.74 POLB (0.42) ALDH1A1KMT2ALMNAMAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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

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

For each of this compound's patents that has machine-readable text (3 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 3300/4885KMT2A 1898/4885LMNA 3111/4885
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 ALDH1A1 3137/4885KMT2A 1231/4885LMNA 3011/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 ALDH1A1 3137/4885KMT2A 1231/4885LMNA 3011/4885

“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.