SCHEMBL922558

SCHEMBL922558

NC1=NN=C(N2CCOCC2)C1=NNc1cccc(S(=O)(=O)NCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MTOR P42345 2/20 0.38
KIF18A Q8NI77 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
LIMK2 P53671 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
TGFBR1 P36897 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
SCHEMBL922556 1.00 EPHX2 (0.40) EPHX2MTORKIF18ATDP1CYP2C19
SCHEMBL921974 0.86 TNNI3K (0.38) KIF18AALDH1A1GAAJAK2JAK3
SCHEMBL921972 0.86 TNNI3K (0.38) KIF18AALDH1A1GAAJAK2JAK3
SCHEMBL922182 0.85 JAK2 (0.46) MTORALDH1A1JAK2JAK3SCN10A
SCHEMBL922181 0.85 JAK2 (0.46) MTORALDH1A1JAK2JAK3SCN10A
SCHEMBL922039 0.84 CYP2C19 (0.48) KIF18ACYP2C19ALDH1A1GAA
SCHEMBL922816 0.79 CYP2C19 (0.41) MTORKIF18ACYP2C19ALDH1A1GAA
SCHEMBL922818 0.79 CYP2C19 (0.41) MTORKIF18ACYP2C19ALDH1A1GAA
SCHEMBL923110 0.77 TNNI3K (0.40) ALDH1A1LMNASCN10A
SCHEMBL923109 0.77 TNNI3K (0.40) ALDH1A1LMNASCN10A

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 EPHX2 3886/4885MTOR 130/4885KIF18A 2627/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 EPHX2 3886/4885MTOR 130/4885KIF18A 2627/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC EPHX2 4245/4885MTOR 153/4885KIF18A 4059/4885

“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.