SCHEMBL9922629

SCHEMBL9922629

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3Cl)cc(C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.39
IMPDH2 P12268 4/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.33
GRM1 Q13255 1/20 0.32
RORC P51449 1/20 0.32
BLM P54132 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL12160988 0.94 P2RY12 (0.45) P2RY12IMPDH2CA12CA1CA9
SCHEMBL13638624 0.92 P2RY12 (0.36) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9922586 0.91 P2RY12 (0.40) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL9922630 0.90 P2RY12 (0.42) P2RY12BRD4CREBBPCA12CA1
SCHEMBL9922631 0.88 P2RY12 (0.40) P2RY12BRD4CREBBPCA12CA1
SCHEMBL9923020 0.88 P2RY12 (0.41) P2RY12IMPDH2BRD4CREBBPCA12
SCHEMBL14228335 0.88 P2RY12 (0.44) P2RY12IMPDH2
SCHEMBL9922618 0.86 P2RY12 (0.39) P2RY12BRD4CREBBPCA12CA1
SCHEMBL12160875 0.86 P2RY12 (0.49) P2RY12IMPDH2
SCHEMBL12177298 0.85 P2RY12 (0.39) P2RY12BRD4CREBBPCA12CA1

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 P2RY12 18/4885IMPDH2 3419/4885BRD4 3064/4885

“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.