SCHEMBL924302

SCHEMBL924302

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
PIK3CA P42336 2/20 0.38
MCHR1 Q99705 1/20 0.38
KIT P10721 3/20 0.37
BRAF P15056 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
ULK1 O75385 1/20 0.34
NOTUM Q6P988 1/20 0.33
PIK3CG P48736 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 1/20 0.32
TYK2 P29597 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL923951 0.91 KIF11 (0.41) KIF11PIK3CAMCHR1KITBRAF
SCHEMBL921858 0.78 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL924096 0.77 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL2497478 0.71 KIF11 (0.51) KIF11PIK3CAMCHR1KITBRAF
SCHEMBL922087 0.70 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1882259 0.70 KIF11 (0.50) KIF11PIK3CAMCHR1KITBRAF
SCHEMBL924332 0.69 MAPT (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL923905 0.69 PTPN11 (0.44) NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL922086 0.68 DEPTOR (0.61) BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL3359576 0.68 KIF11 (0.47) KIF11PIK3CAMCHR1KITBRAF

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 KIF11 2561/4885PIK3CA 187/4885MCHR1 4186/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KIF11 2561/4885PIK3CA 187/4885MCHR1 4186/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KIF11 2067/4885PIK3CA 122/4885MCHR1 2849/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KIF11 2782/4885PIK3CA 84/4885MCHR1 4368/4885

“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.