SCHEMBL922149

SCHEMBL922149

CCNS(=O)(=O)c1cccc(NN=C2C(N)=NN=C2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 1/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
KIT P10721 1/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 3/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
ROCK1 Q13464 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL922062 0.88 ALDH1A1 (0.46) MAPTKDM4EATMCYP19A1KMT2A
SCHEMBL923760 0.86 TNNI3K (0.49) TNNI3K
SCHEMBL922039 0.85 CYP2C19 (0.48) MAPTKDM4EATMCYP19A1KMT2A
SCHEMBL923232 0.84 CYP2C9 (0.54) MAPTKDM4ECYP2C9KMT2ALMNA
SCHEMBL924477 0.83 ROCK1 (0.47) TNNI3KMAPTKDM4EATMKMT2A
SCHEMBL5669542 0.81 AURKA (0.48) MAPTKDM4EKMT2ALMNATSHR
SCHEMBL922011 0.81 CA2 (0.48) MAPTROCK1POLB
SCHEMBL922243 0.78 ALDH1A1 (0.39) MAPTKDM4EATMKMT2AALDH1A1
SCHEMBL923183 0.77 CA2 (0.42) MAPTKDM4EATMLMNAALDH1A1
SCHEMBL922823 0.76 TNNI3K (0.43) TNNI3K

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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US claimed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 TNNI3K 789/4885MAPT 4573/4885KDM4E 1193/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 TNNI3K 789/4885MAPT 4573/4885KDM4E 1193/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC TNNI3K 826/4885MAPT 4000/4885KDM4E 2760/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C TNNI3K 1064/4885MAPT 4486/4885KDM4E 1067/4885

“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.