SCHEMBL922780

SCHEMBL922780

COc1ccc(CC(=O)CC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
CTBP2 P56545 1/20 0.49
F2RL1 P55085 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
LDHA P00338 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3929597 0.83 F2RL1 (0.68) SMN1; SMN2F2RL1ALDH1A1KDM4EPOLB
SCHEMBL3628705 0.83 HTT (0.68) HTTSMN1; SMN2CTBP2F2RL1ALDH1A1
SCHEMBL4594957 0.81 CTBP2 (0.54) HTTSMN1; SMN2CTBP2ALDH1A1USP2
SCHEMBL28458644 0.80 L3MBTL1 (0.50) SMN1; SMN2CTBP2ALDH1A1CYP2C19CES2
SCHEMBL19720612 0.80 F2RL1 (0.54) SMN1; SMN2F2RL1POLBNPC1KMT2A
SCHEMBL2975545 0.79 CYP1A2 (0.55) HTTSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL10445335 0.79 HTT (0.58) HTTSMN1; SMN2CTBP2F2RL1ALDH1A1
SCHEMBL14722398 0.79 F2RL1 (0.45) HTTSMN1; SMN2F2RL1ALDH1A1POLB
SCHEMBL3175977 0.78 HTT (0.61) HTTSMN1; SMN2CTBP2F2RL1ALDH1A1
SCHEMBL7153605 0.78 HTT (0.61) HTTSMN1; SMN2CTBP2F2RL1ALDH1A1

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-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-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 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 (5 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 HTT 1145/4885SMN1; SMN2 4161/4885CTBP2 3856/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 HTT 1145/4885SMN1; SMN2 4161/4885CTBP2 3856/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC HTT 1642/4885SMN1; SMN2 2243/4885CTBP2 4288/4885
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTT 3193/4885SMN1; SMN2 4322/4885CTBP2 2231/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HTT 3193/4885SMN1; SMN2 4322/4885CTBP2 2231/4885

“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.