SCHEMBL12768944

SCHEMBL12768944

CNc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(C)c4cccc(Cl)c4)cc3)c(=O)c2cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.50
▸ MAPK3 P27361 2/20 0.50
▸ P2RY12 Q9H244 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ B3GNT2 Q9NY97 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ IMPDH2 P12268 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL1639033 0.90 P2RY12 (0.48) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL12768943 0.90 P2RY12 (0.47) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL12727461 0.89 P2RY12 (0.47) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL1639086 0.85 P2RY12 (0.44) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL1639567 0.82 P2RY12 (0.49) P2RY12KDM4ESMN1; SMN2B3GNT2GAA
SCHEMBL27756390 0.82 P2RY12 (0.53) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL12768050 0.81 P2RY12 (0.49) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13074039 0.80 P2RY12 (0.44) P2RY12KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12727460 0.80 MAPK3 (0.42) MAPK1MAPK3P2RY12KDM4EALDH1A1
SCHEMBL1640679 0.80 P2RY12 (0.46) MAPK1MAPK3P2RY12KDM4EALDH1A1

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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 MAPK1 562/4885MAPK3 2351/4885P2RY12 120/4885

“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.

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