SCHEMBL3328987

SCHEMBL3328987

COC(=O)c1cc(OCC(=O)N2CCC(F)(F)C2)c2ccc(C)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ P2RY12 Q9H244 8/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPY4R P50391 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL3332803 0.90 SMN1; SMN2 (0.41) IRAK4P2RY12SMN1; SMN2MEN1KMT2A
SCHEMBL3330765 0.82 P2RY12 (0.44) P2RY12SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3330757 0.82 P2RY12 (0.44) P2RY12SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3332296 0.81 P2RY12 (0.44) P2RY12SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3328721 0.79 P2RY12 (0.56) P2RY12SCN9A
SCHEMBL3330164 0.78 KDM4E (0.56) P2RY12
SCHEMBL3336889 0.74 P2RY12 (0.56) P2RY12
SCHEMBL3332621 0.74 P2RY12 (0.64) P2RY12
SCHEMBL3328038 0.74 P2RY12 (0.58) P2RY12
SCHEMBL3333647 0.73 PREP (0.55) P2RY12DPP4

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-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 — — US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 — — US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 — — EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 — — WO 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 IRAK4 1270/4885P2RY12 1/4885SMN1; SMN2 4406/4885

“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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