SCHEMBL922339

SCHEMBL922339

NC1=NN=C(N)C1=NNc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KEAP1 Q14145 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL923259 0.83 LMNA (0.49) KDM4EALDH1A1CYP3A4HPGDMAPT
SCHEMBL923564 0.83 CYP3A4 (0.35) KDM4EALDH1A1CYP3A4TP53NPC1
SCHEMBL5889229 0.77 ALDH1A1 (0.45) KDM4EGAAKEAP1CA12CA3
SCHEMBL922941 0.76 MEN1 (0.51) KDM4EGAAALDH1A1CYP3A4HPGD
SCHEMBL922995 0.76 G6PD (0.42) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL25291704 0.76 RAB9A (0.36) KDM4EGAAALDH1A1TP53SIGMAR1
SCHEMBL921350 0.76 KMT2A (0.47) KDM4EALDH1A1TSHRHPGDNPC1
SCHEMBL924008 0.76 L3MBTL1 (0.38) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL921926 0.75 ALDH1A1 (0.43) KDM4EALDH1A1CYP3A4MAPTDHFR
SCHEMBL922599 0.74 LMNA (0.42) KDM4EALDH1A1CYP3A4TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 US 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
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 WO disclosed
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 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 KDM4E 1193/4885GAA 1621/4885KEAP1 1014/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KDM4E 1193/4885GAA 1621/4885KEAP1 1014/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KDM4E 2760/4885GAA 2285/4885KEAP1 3337/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KDM4E 1067/4885GAA 1927/4885KEAP1 1741/4885

“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.