SCHEMBL922423

SCHEMBL922423

COc1ccc(N)cc1CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
MAPT P10636 5/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
HIF1A Q16665 1/20 0.49

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
Hydrochloric Acid SCHEMBL7562401 0.99 HTT (0.53) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL4263324 0.88 HTT (0.54) HTTMAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7563158 0.85 KDM4E (0.64) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL348999 0.83 MAPT (0.64) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL27809150 0.82 KDM4E (0.70) HTTMAPTKDM4EALDH1A1LMNA
SCHEMBL16400206 0.82 KDM4E (0.74) HTTMAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL7563307 0.82 NR1H2 (0.55) KDM4ELMNAGAAKMT2AMEN1
SCHEMBL9185135 0.81 CYP1A2 (0.59) KDM4ELMNAL3MBTL1TDP1TACR1
SCHEMBL3399817 0.80 CYP2A13 (0.61) MAPTKDM4ELMNAGAAKMT2A
SCHEMBL20272181 0.80 KDM4E (0.56) MAPTKDM4EALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US 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
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
EP-1765823-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORP (US) 2010-03-31 EP 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-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
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
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
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US 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
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 (7 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 HTT 1145/4885MAPT 4573/4885KDM4E 1193/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 HTT 1145/4885MAPT 4573/4885KDM4E 1193/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC HTT 1642/4885MAPT 4000/4885KDM4E 2760/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C HTT 2491/4885MAPT 4486/4885KDM4E 1067/4885
US-20100075958-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 HTT 56/4885MAPT 888/4885KDM4E 3268/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 HTT 56/4885MAPT 888/4885KDM4E 3268/4885
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 HTT 1645/4885MAPT 2446/4885KDM4E 1407/4885

“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.