SCHEMBL922531

SCHEMBL922531

N#CC(C#N)=NNc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.57
▸ GAA P10253 10/20 0.54
▸ KMT2A Q03164 10/20 0.54
▸ RAB9A P51151 10/20 0.54
▸ MEN1 O00255 9/20 0.54
▸ NPC1 O15118 8/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ MAPT P10636 12/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ SMN1; SMN2 Q16637 10/20 0.51
▸ NFKB1 P19838 3/20 0.51
▸ NFKB2 Q00653 3/20 0.51
▸ RELA Q04206 3/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL24706996 0.83 PIK3CG (0.55) HSP90AA1DYRK1AMAPK1
SCHEMBL24705955 0.80 DYRK1A (0.52) HSP90AA1GAAKMT2ARAB9AMEN1
SCHEMBL24707373 0.80 IDO1 (0.55) HSP90AA1GAAKMT2ARAB9AMEN1
SCHEMBL24706384 0.80 RAB9A (0.52) HSP90AA1GAAKMT2ARAB9AMEN1
SCHEMBL24707315 0.80 SMN1; SMN2 (0.55) GAAKMT2ARAB9AMEN1NPC1
SCHEMBL24705959 0.80 DYRK1A (0.53) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL24707000 0.80 MAPT (0.55) GAAKMT2ARAB9AMEN1NPC1
SCHEMBL24707371 0.80 MAPT (0.51) GAAKMT2ARAB9AMEN1NPC1
SCHEMBL13209095 0.80 HSP90AA1 (0.69) HSP90AA1GAAKMT2ARAB9AMEN1
SCHEMBL19449283 0.79 ALDH1A1 (0.65) HSP90AA1GAAKMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 1355/4885GAA 1621/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 HSP90AA1 1355/4885GAA 1621/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC HSP90AA1 2008/4885GAA 2285/4885KMT2A 4148/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C HSP90AA1 2728/4885GAA 1927/4885KMT2A 3543/4885
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 HSP90AA1 2098/4885GAA 3976/4885KMT2A 342/4885

“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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