SCHEMBL922572

SCHEMBL922572

CC(C)c1ccccc1NN=C(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CISD1 Q9NZ45 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL922606 0.77 MAPT (0.48) SIGMAR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL924641 0.75 MAPT (0.41) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL924468 0.74 MAPT (0.44) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
2-Chlorocarbonylcyanide Phenylhydrazine SCHEMBL922278 0.74 MAPT (0.59) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL519266 0.73 L3MBTL1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3182943 0.72 L3MBTL1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28462542 0.71 MEN1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9832362 0.71 MEN1 (0.39) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11659834 0.69 TRPA1 (0.49) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL922010 0.69 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 GRIN2D 4815/4885GRIN3B 4767/4885GRIN1 4755/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 GRIN2D 4815/4885GRIN3B 4767/4885GRIN1 4755/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC GRIN2D 4880/4885GRIN3B 4808/4885GRIN1 4859/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C GRIN2D 4833/4885GRIN3B 4782/4885GRIN1 4829/4885

“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.