SCHEMBL2089796

SCHEMBL2089796

Cc1c(Cl)cccc1C(=O)CC#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KCNH2 Q12809 3/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL7380731 0.83 ERCC5 (0.56) MAPTKMT2AMEN1TAS1R3TAS1R1
SCHEMBL135637 0.82 MAPT (0.56) MAPTKMT2AMEN1KCNH2LMNA
SCHEMBL25768046 0.81 KCNH2 (0.44) MAPTKMT2AMEN1KCNH2LMNA
SCHEMBL30375322 0.81 KCNH2 (0.44) MAPTKMT2AMEN1KCNH2LMNA
SCHEMBL30440405 0.80 MAPT (0.48) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL16253911 0.80 MAPT (0.48) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL28159519 0.79 LMNA (0.46) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL5051582 0.77 PTPN1 (0.49) MAPTKMT2AMEN1KCNH2LMNA
SCHEMBL2071218 0.77 FEN1 (0.52) MAPTKMT2AMEN1KCNH2HPGD
SCHEMBL9858659 0.76 F2R (0.44) MAPTKMT2AMEN1LMNACYP1A2

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
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
US-4259256-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
US-4181677-A ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1980-01-01 US disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 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 (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-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 MAPT 3678/4885KMT2A 3709/4885MEN1 1774/4885
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 MAPT 933/4885KMT2A 2721/4885MEN1 4060/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 MAPT 501/4885KMT2A 2452/4885MEN1 4364/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 MAPT 404/4885KMT2A 2017/4885MEN1 4254/4885

“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.