SCHEMBL923951

SCHEMBL923951

NC1=NN=C(N)C1=NNc1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
BRAF P15056 5/20 0.33
KIT P10721 4/20 0.33
MCHR1 Q99705 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL924302 0.91 KIF11 (0.41) KIF11BRAFKITMCHR1PIK3CA
SCHEMBL921858 0.78 SMN1; SMN2 (0.46)
SCHEMBL924096 0.77 SMN1; SMN2 (0.44)
SCHEMBL922087 0.70 ALDH1A1 (0.38)
SCHEMBL924332 0.69 MAPT (0.46)
SCHEMBL922086 0.68 DEPTOR (0.61) BRAF
SCHEMBL14626209 0.68 KIF11 (0.47) KIF11BRAFKITPIK3CA
SCHEMBL921307 0.67 TDO2 (0.43)
SCHEMBL923504 0.66 ALDH1A1 (0.46)
SCHEMBL921969 0.66 MAPT (0.43) BRAF

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 KIF11 2561/4885BRAF 491/4885KIT 425/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KIF11 2561/4885BRAF 491/4885KIT 425/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KIF11 2067/4885BRAF 164/4885KIT 209/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KIF11 2782/4885BRAF 262/4885KIT 218/4885

“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.