SCHEMBL922975

SCHEMBL922975

Cn1cccc1C(=O)CC#N

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.51
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HK1 P19367 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ PABPC1 P11940 1/20 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
SCHEMBL11350388 0.79 KDM4E (0.44) MAOBKMT2AMEN1KDM4EGAA
SCHEMBL8392453 0.77 MAOB (0.57) MAOBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14757597 0.77 MAOB (0.57) MAOBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11367101 0.76 KDM4E (0.38) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL6834190 0.76 MAOB (0.56) MAOBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3926765 0.76 MAOB (0.56) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL11728742 0.74 MAOB (0.54) MAOBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7814459 0.74 MAOB (0.54) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL11219615 0.73 MAOB (0.53) MAOBKMT2ANPC1RAB9AGAA
SCHEMBL11361948 0.72 CNR2 (0.49) RAB9AKDM4EMAPTSMN1; SMN2ALDH1A1

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 10 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-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-4435407-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS; IMMUNOMODULATORS CIBA-GEIGY CORPORATION (US) 1984-03-06 — — US disclosed
US-4256759-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-17 — — US disclosed
EP-0021207-A1 Alphacarbamoyl-pyrrolpropionitriles, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1981-01-07 — — EP 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 (3 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 MAOB 3496/4885KMT2A 2931/4885MEN1 3936/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAOB 3496/4885KMT2A 2931/4885MEN1 3936/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAOB 3726/4885KMT2A 4148/4885MEN1 1844/4885

“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.

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