SCHEMBL13619747

SCHEMBL13619747

CCNC(=O)c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
MCHR1 Q99705 1/20 0.50
CHRM4 P08173 2/20 0.48
RARB P10826 3/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
BRD4 O60885 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
RPS6KA4 O75676 1/20 0.47
PRKACA P17612 1/20 0.47
MAPK1 P28482 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
LIMK1 P53667 1/20 0.47
ROCK1 Q13464 1/20 0.47
PRKG1 Q13976 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL15074690 0.83 GAA (0.61) RARBRARARARGROCK2RPS6KA5
SCHEMBL13626334 0.80 ACMSD (0.60) NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL12391548 0.80 PTGER4 (0.47) NPC1RAB9ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL26567156 0.80 PTPRC (0.46) CHRM4ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL6068233 0.79 CES2 (0.55) BRD4NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL2605694 0.79 ALOX5AP (0.49) CHRM4ROCK2RPS6KA5RPS6KA4PRKACA
SCHEMBL30621479 0.79 GAA (0.63) NPC1RAB9ASMN1; SMN2HDAC1KMT2A
SCHEMBL744426 0.79 GAA (0.63) NPC1RAB9ASMN1; SMN2HDAC1KMT2A
Acetic Acid SCHEMBL6451742 0.78 CES2 (0.50) BRD4NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL2563621 0.78 MCHR1 (0.45) HTR2AMCHR1RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 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 (2 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HTR2A 3605/4885MCHR1 4505/4885CHRM4 3846/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HTR2A 3365/4885MCHR1 1132/4885CHRM4 4878/4885

“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.