SCHEMBL923170

SCHEMBL923170

NC1=NN=C(N2CCCC2)/C1=N\Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CA1 P00915 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
SCN10A Q9Y5Y9 11/20 0.44
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 1/20 0.41
CCNT1 O60563 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CCND3 P30281 1/20 0.38
FLT3 P36888 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL923171 1.00 CA2 (0.47) CA2CA1CA12CA9SCN10A
SCHEMBL922181 0.90 JAK2 (0.46) CA2CA1CA12CA9SCN10A
SCHEMBL922182 0.90 JAK2 (0.46) CA2CA1CA12CA9SCN10A
SCHEMBL923109 0.88 TNNI3K (0.40) SCN10AMAPT
SCHEMBL923110 0.88 TNNI3K (0.40) SCN10AMAPT
SCHEMBL922836 0.86 CA2 (0.51) CA2CA1CA12CA9MAPT
SCHEMBL922838 0.86 CA2 (0.51) CA2CA1CA12CA9MAPT
SCHEMBL922011 0.84 CA2 (0.48) CA2CA1CA12CA9ROCK1
SCHEMBL923698 0.81 DEPTOR (0.47) MAPT
SCHEMBL923699 0.81 DEPTOR (0.47) MAPT

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 7 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

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 CA2 1604/4885CA1 4214/4885CA12 3989/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 CA2 1604/4885CA1 4214/4885CA12 3989/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC CA2 2257/4885CA1 4303/4885CA12 3071/4885

“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.