SCHEMBL921972

SCHEMBL921972

CNS(=O)(=O)c1cccc(N/N=C2/C(N)=NN=C2N2CCOCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 12/20 0.38
BRAF P15056 9/20 0.38
EGFR P00533 1/20 0.38
BRD4 O60885 3/20 0.37
KIF18A Q8NI77 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL921974 1.00 TNNI3K (0.38) TNNI3KBRAFEGFRBRD4KIF18A
SCHEMBL923110 0.91 TNNI3K (0.40) TNNI3KBRAFEGFRALDH1A1SCN10A
SCHEMBL923109 0.91 TNNI3K (0.40) TNNI3KBRAFEGFRALDH1A1SCN10A
SCHEMBL922182 0.89 JAK2 (0.46) JAK2JAK3ALDH1A1SCN10A
SCHEMBL922181 0.89 JAK2 (0.46) JAK2JAK3ALDH1A1SCN10A
SCHEMBL922556 0.86 EPHX2 (0.40) KIF18AJAK2JAK3ALDH1A1GAA
SCHEMBL922558 0.86 EPHX2 (0.40) KIF18AJAK2JAK3ALDH1A1GAA
SCHEMBL923760 0.83 TNNI3K (0.49) TNNI3KBRAFEGFR
SCHEMBL922208 0.80 DEPTOR (0.44) ALDH1A1GAAKMT2A
SCHEMBL922209 0.80 DEPTOR (0.44) ALDH1A1GAAKMT2A

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 TNNI3K 789/4885BRAF 491/4885EGFR 777/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 TNNI3K 789/4885BRAF 491/4885EGFR 777/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC TNNI3K 826/4885BRAF 164/4885EGFR 578/4885

“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.