SCHEMBL923102

SCHEMBL923102

COc1ccc2nc(NN=C(C#N)C#N)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.56
▸ RAB9A P51151 12/20 0.56
▸ SMN1; SMN2 Q16637 8/20 0.56
▸ HTT P42858 4/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ MEN1 O00255 9/20 0.55
▸ KMT2A Q03164 9/20 0.55
▸ MAPT P10636 8/20 0.55
▸ NFKB1 P19838 4/20 0.53
▸ NFKB2 Q00653 4/20 0.53
▸ RELA Q04206 4/20 0.53
▸ SCD O00767 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL24706386 0.87 MAPT (0.56) NPC1RAB9ASMN1; SMN2HTTCYP3A4
SCHEMBL24705956 0.84 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL24707371 0.84 MAPT (0.51) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL24705959 0.83 DYRK1A (0.53) NPC1RAB9ASMN1; SMN2HTTDYRK1A
SCHEMBL24707000 0.81 MAPT (0.55) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL24706384 0.81 RAB9A (0.52) NPC1RAB9AHTTCYP1A2CYP3A4
SCHEMBL24707315 0.81 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HTTCYP3A4
SCHEMBL10991640 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL21652289 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL24706983 0.78 GAA (0.44) NPC1RAB9ASMN1; SMN2HTTCYP1A2

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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 — — EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 — — EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 — — WO claimed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US disclosed
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 (5 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 NPC1 2611/4885RAB9A 4545/4885SMN1; SMN2 4161/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NPC1 2611/4885RAB9A 4545/4885SMN1; SMN2 4161/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NPC1 3205/4885RAB9A 3555/4885SMN1; SMN2 2243/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C NPC1 2227/4885RAB9A 4226/4885SMN1; SMN2 3557/4885
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT NPC1 3755/4885RAB9A 2732/4885SMN1; SMN2 4864/4885

“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.

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