SCHEMBL924072

SCHEMBL924072

NC1=NN=C(c2ccc3c(c2)OCO3)/C1=N\Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.45
ADORA2A P29274 5/20 0.45
ADORA3 P0DMS8 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
TSHR P16473 4/20 0.42
CYP2C19 P33261 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
USP2 O75604 3/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 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
SCHEMBL924073 1.00 ADORA1 (0.45) ADORA1ADORA2AADORA3MEN1KMT2A
SCHEMBL922393 0.80 DEPTOR (0.44) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL922391 0.80 DEPTOR (0.44) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL922404 0.79 ALDH1A1 (0.36) MEN1KMT2AUSP2MAPK1ALDH1A1
SCHEMBL922402 0.79 ALDH1A1 (0.36) MEN1KMT2AUSP2MAPK1ALDH1A1
SCHEMBL922266 0.79 DEPTOR (0.36) ALDH1A1
SCHEMBL922264 0.79 DEPTOR (0.36) ALDH1A1
SCHEMBL922588 0.78 TDO2 (0.34) ADORA1ADORA2AADORA3ALDH1A1MAPT
SCHEMBL921858 0.77 SMN1; SMN2 (0.46) MEN1KMT2ACYP3A4HSD17B10ALDH1A1
SCHEMBL923955 0.77 DEPTOR (0.39) ADORA1ADORA2AMEN1KMT2AALDH1A1

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 9 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 claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ADORA1 3649/4885ADORA2A 3527/4885ADORA3 2929/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ADORA1 3649/4885ADORA2A 3527/4885ADORA3 2929/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ADORA1 2344/4885ADORA2A 1443/4885ADORA3 2170/4885

“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.