SCHEMBL935748

SCHEMBL935748

N#CC(C#N)=NNc1ccc(Br)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
MEN1 O00255 11/20 0.40
KMT2A Q03164 11/20 0.40
MAPT P10636 10/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CISD1 Q9NZ45 1/20 0.40
EPHX1 P07099 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 9/20 0.37
NPSR1 Q6W5P4 4/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP14 P50281 1/20 0.36

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
SCHEMBL924468 0.80 MAPT (0.44) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL28462542 0.77 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL924641 0.70 MAPT (0.41) MEN1KMT2AMAPTSMN1; SMN2TDP1
2-Chlorocarbonylcyanide Phenylhydrazine SCHEMBL922278 0.69 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL922606 0.69 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL24130427 0.69 PARP1 (0.50) TDP1CYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL12031962 0.68 MEN1 (0.42) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL922010 0.67 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL24130524 0.67 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL24706033 0.66 MAPK1 (0.48) MEN1KMT2AMAPTSMN1; SMN2TDP1

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 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
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

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 RXFP1 4098/4885MEN1 3936/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 RXFP1 4098/4885MEN1 3936/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC RXFP1 3797/4885MEN1 1844/4885KMT2A 4148/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C RXFP1 4410/4885MEN1 3439/4885KMT2A 3543/4885

“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.