SCHEMBL924422

SCHEMBL924422

NC1=NN=C(c2ccnc(Cl)c2)C1=NNc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DEPTOR Q8TB45 2/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.35
BUB1 O43683 1/20 0.34
IDO1 P14902 2/20 0.32
GHSR Q92847 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL924421 1.00 DEPTOR (0.41) DEPTORADORA2AADORA1TRPA1BUB1
SCHEMBL922304 0.81 DEPTOR (0.40) DEPTORBUB1IDO1ALDH1A1HTT
SCHEMBL922303 0.81 DEPTOR (0.40) DEPTORBUB1IDO1ALDH1A1HTT
SCHEMBL922596 0.81 DEPTOR (0.42) DEPTORALDH1A1HTT
SCHEMBL922594 0.81 DEPTOR (0.42) DEPTORALDH1A1HTT
SCHEMBL922393 0.81 DEPTOR (0.44) DEPTORALDH1A1HTT
SCHEMBL922391 0.81 DEPTOR (0.44) DEPTORALDH1A1HTT
SCHEMBL922469 0.81 ADORA2A (0.43) DEPTORADORA2AADORA1ALDH1A1HTT
SCHEMBL922470 0.81 ADORA2A (0.43) DEPTORADORA2AADORA1ALDH1A1HTT
SCHEMBL923843 0.77 NPC1 (0.46) ADORA2AADORA1ALDH1A1HTT

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 11 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 claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN claimed
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-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN 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

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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 DEPTOR 1170/4885ADORA2A 3527/4885ADORA1 3649/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 DEPTOR 1170/4885ADORA2A 3527/4885ADORA1 3649/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC DEPTOR 200/4885ADORA2A 1443/4885ADORA1 2344/4885

“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.