SCHEMBL9923260

SCHEMBL9923260

COc1ccc2c(=O)c(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3F)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.43
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
MAP2K4 P45985 1/20 0.38
FBP1 P09467 1/20 0.38
ITK Q08881 3/20 0.37
NLRP3 Q96P20 1/20 0.37
TNIK Q9UKE5 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ROCK1 Q13464 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CHEK1 O14757 1/20 0.36
LCK P06239 2/20 0.35

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
SCHEMBL12161716 0.92 P2RY12 (0.44) KITPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13638644 0.92 FBP1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9922391 0.88 ROCK1 (0.45) KITMAP2K4FBP1ITKNLRP3
SCHEMBL14088508 0.84 MEN1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9923253 0.82 MAPT (0.41) KITPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12161694 0.80 ROCK1 (0.44) KITPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9922653 0.79 P2RY12 (0.46) KITFBP1P2RY12ROCK1MEN1
SCHEMBL14228352 0.79 CA12 (0.39) KITITKP2RY12ROCK1KDR
SCHEMBL9922623 0.77 MEN1 (0.42) MAP2K4FBP1ITKP2RY12ROCK1
SCHEMBL13633811 0.75 P2RY12 (0.42) KITFBP1ITKP2RY12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 KIT 398/4885PRKAB2 1291/4885PRKAG1 748/4885

“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.