SCHEMBL922039

SCHEMBL922039

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.39
PRMT1 Q99873 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP19A1 P11511 1/20 0.39
KIF18A Q8NI77 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.36
ROCK1 Q13464 1/20 0.36
TLR8 Q9NR97 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL922818 0.89 CYP2C19 (0.41) CYP2C19ALDH1A1PKMGAABRD4
SCHEMBL922816 0.89 CYP2C19 (0.41) CYP2C19ALDH1A1PKMGAABRD4
SCHEMBL922062 0.86 ALDH1A1 (0.46) ALDH1A1PKMGAAPRMT1KMT2A
SCHEMBL922149 0.85 TNNI3K (0.43) ALDH1A1BRD4PRMT1KMT2ACYP19A1
SCHEMBL922556 0.84 EPHX2 (0.40) CYP2C19ALDH1A1GAAKIF18A
SCHEMBL922558 0.84 EPHX2 (0.40) CYP2C19ALDH1A1GAAKIF18A
SCHEMBL922243 0.83 ALDH1A1 (0.39) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL5669542 0.82 AURKA (0.48) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL923760 0.81 TNNI3K (0.49)
SCHEMBL922011 0.79 CA2 (0.48) MAPTROCK1

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 13 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
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
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 CYP2C19 1325/4885ALDH1A1 1614/4885PKM 310/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 CYP2C19 1325/4885ALDH1A1 1614/4885PKM 310/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC CYP2C19 3704/4885ALDH1A1 3393/4885PKM 1021/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C CYP2C19 1296/4885ALDH1A1 2487/4885PKM 389/4885

“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.