SCHEMBL921828

SCHEMBL921828

NC1=NN=C(N)C1=NNc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL921530 0.80 NPC1 (0.49) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL922071 0.78 DEPTOR (0.53) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL924489 0.76 DEPTOR (0.43) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL922102 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL921686 0.75 MGLL (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL921698 0.75 MAOB (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL922084 0.75 KMT2A (0.43) ALDH1A1CYP3A4HSD17B10CYP1A2MAPT
SCHEMBL922383 0.75 RAPGEF4 (0.38) HSD17B10HPGDMAPTMEN1KMT2A
SCHEMBL924332 0.75 MAPT (0.46) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL922736 0.74 ROCK2 (0.49) ALDH1A1HPGDHIF1AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US claimed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US claimed
EP-1276723-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY Kinetek Pharmaceuticals, Inc. (CA) 2003-01-22 EP claimed
US-6436915-B1 ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AND ANGIOGENESIS INHIBITORS KINETEK PHARMACEUTICALS, INC. (CA) 2002-08-20 US claimed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US claimed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 WO 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-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 ALDH1A1 1614/4885CYP3A4 1312/4885HSD17B10 1881/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885CYP3A4 1312/4885HSD17B10 1881/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885CYP3A4 4371/4885HSD17B10 3914/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C ALDH1A1 2487/4885CYP3A4 1046/4885HSD17B10 3118/4885

“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.