SCHEMBL923183

SCHEMBL923183

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
ALDH1A1 P00352 1/20 0.41
P2RX1 P51575 1/20 0.40
RXFP1 Q9HBX9 8/20 0.40
CHKA P35790 2/20 0.39
LMNA P02545 1/20 0.36
CA1 P00915 4/20 0.36
HTR2A P28223 1/20 0.36
TSPO P30536 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
DEPTOR Q8TB45 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL922011 0.83 CA2 (0.48) CA2CA1CA12CA9MAPT
SCHEMBL922369 0.83 KIF11 (0.47) CA2ALDH1A1CHKALMNACA1
SCHEMBL924477 0.82 ROCK1 (0.47) ALDH1A1CHKALMNAKDM4EMAPT
SCHEMBL923760 0.80 TNNI3K (0.49)
SCHEMBL922149 0.77 TNNI3K (0.43) ALDH1A1LMNAKDM4EMAPTATM
SCHEMBL922243 0.77 ALDH1A1 (0.39) CA2ALDH1A1CA1CA12CA9
SCHEMBL923852 0.76 MAPT (0.51) ALDH1A1LMNAKDM4EMAPT
SCHEMBL5669542 0.76 AURKA (0.48) CA2ALDH1A1LMNACA1KDM4E
SCHEMBL922039 0.75 CYP2C19 (0.48) ALDH1A1KDM4EMAPTATM
SCHEMBL922086 0.74 DEPTOR (0.61) ALDH1A1DEPTORCA12CA9KDM4E

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 15 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
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP claimed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO 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 CA2 1604/4885ALDH1A1 1614/4885P2RX1 2134/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 CA2 1604/4885ALDH1A1 1614/4885P2RX1 2134/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC CA2 2257/4885ALDH1A1 3393/4885P2RX1 1914/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C CA2 2665/4885ALDH1A1 2487/4885P2RX1 767/4885

“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.