SCHEMBL922720

SCHEMBL922720

COc1ccc(NN=C(C#N)C#N)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
KMT2A Q03164 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CISD1 Q9NZ45 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 8/20 0.48
HIF1A Q16665 2/20 0.48
TP53 P04637 1/20 0.48
BLM P54132 1/20 0.48
EPAS1 Q99814 1/20 0.48
CYP2C9 P11712 2/20 0.47
GAA P10253 4/20 0.46
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL923506 0.86 MAPT (0.54) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL924741 0.86 MAPT (0.48) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24130010 0.83 CTSV (0.54) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL24130037 0.82 MEN1 (0.48) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24129795 0.82 MAPT (0.41) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24130028 0.80 ALDH1A1 (0.48) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24129957 0.79 KIT (0.45) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24130177 0.79 MRGPRX1 (0.56) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24130099 0.79 HDAC1 (0.46) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL24129819 0.79 ALDH1A1 (0.40) MAPTKMT2ATDP1MEN1SMN1; 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 13 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-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 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
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US 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
EP-1276723-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY Kinetek Pharmaceuticals, Inc. (CA) 2003-01-22 EP disclosed
US-6436915-B1 ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AND ANGIOGENESIS INHIBITORS KINETEK PHARMACEUTICALS, INC. (CA) 2002-08-20 US disclosed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US disclosed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 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 (4 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 MAPT 4573/4885KMT2A 2931/4885TDP1 646/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885KMT2A 2931/4885TDP1 646/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPT 4000/4885KMT2A 4148/4885TDP1 286/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C MAPT 4486/4885KMT2A 3543/4885TDP1 632/4885

“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.