SCHEMBL4195950

SCHEMBL4195950

COc1c(C(N)=O)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.53
PARP1 P09874 3/20 0.43
MAOB P27338 1/20 0.43
MAPK10 P53779 5/20 0.42
MAPK8 P45983 3/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 1/20 0.41
CYP3A4 P08684 1/20 0.39
CD38 P28907 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
CBLB Q13191 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL4123848 0.85 CTSS (0.54) CTSSMAOBLMNAGAATAS2R14
SCHEMBL27908376 0.85 MAPK10 (0.40) CTSSPARP1MAPK10MAPK8LMNA
SCHEMBL4119115 0.83 CTSS (0.56) CTSSMAOBLMNAGAATAS2R14
SCHEMBL17339302 0.83 CTSS (0.53) CTSSMAOBLMNAGAACTSK
SCHEMBL3395132 0.82 PARP1 (0.47) PARP1MAPK10GAA
SCHEMBL6024762 0.81 CTSS (0.61) CTSSMAOBMAPK10LMNAGAA
SCHEMBL28130468 0.78 CYP3A4 (0.55) CTSSMAPK10MAPK8LMNACYP3A4
SCHEMBL16829403 0.78 CTSS (0.44) CTSSMAOBGAACYP3A4
SCHEMBL528652 0.77 LMNA (0.43) PARP1LMNA
SCHEMBL29629424 0.77 TAS2R14 (0.53) CTSSPARP1LMNAGAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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 (1 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 CTSS 4665/4885PARP1 1174/4885MAOB 963/4885

“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.