SCHEMBL923869

SCHEMBL923869

NC1=NN=C(N)C1=NNc1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38
CYP1A2 P05177 2/20 0.37
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
CTRB1 P17538 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 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
SCHEMBL923224 0.76 RXFP1 (0.41) SENP7ALDH1A1MAPTKDM4EGAA
SCHEMBL30256044 0.74 KDM4E (0.38) TTRAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL19322466 0.74 KDM4E (0.38) TTRAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL16490257 0.74 KDM4E (0.38) TTRAURKBCYP1A2CTRB1ALDH1A1
SCHEMBL4252930 0.73 TTR (0.50) TTRAURKBAURKACYP1A2SUMO2
SCHEMBL15113017 0.73 SNCA (0.35) TTRAURKBCYP1A2CTRB1CD40
SCHEMBL922339 0.72 KDM4E (0.42) CYP1A2ALDH1A1MAPTRECQLKDM4E
SCHEMBL12311434 0.72 CYP1A2 (0.38) TTRAURKBAURKACYP1A2CTRB1
Hydrochloric Acid SCHEMBL9082410 0.71 TTR (0.49) TTRAURKBAURKACYP1A2SUMO2
SCHEMBL12878528 0.71 IDO1 (0.55) TTRAURKBAURKACYP1A2CTRB1

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-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 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
EP-1276723-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY Kinetek Pharmaceuticals, Inc. (CA) 2003-01-22 EP disclosed
US-6436915-B1 ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AND ANGIOGENESIS INHIBITORS KINETEK PHARMACEUTICALS, INC. (CA) 2002-08-20 US disclosed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US disclosed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 WO disclosed
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 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 TTR 3186/4885AURKB 372/4885AURKA 424/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 TTR 3186/4885AURKB 372/4885AURKA 424/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC TTR 2148/4885AURKB 640/4885AURKA 494/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C TTR 3427/4885AURKB 410/4885AURKA 486/4885

“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.