SCHEMBL3014591

SCHEMBL3014591

CC1(Cc2cncnc2)C(=O)N(Cc2ccccn2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.40
▸ GRIN1 Q05586 8/20 0.39
▸ GRIN2B Q13224 8/20 0.39
▸ S1PR3 Q99500 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CACNA1B Q00975 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL3036262 0.83 GRIN1 (0.40) GRIN1GRIN2BCACNA1B
SCHEMBL3021050 0.82 GRIN1 (0.37) GRIN1GRIN2BCACNA1BKCNH2
SCHEMBL3028107 0.79 ITGB2 (0.42) GRIN1GRIN2BCACNA1BCYP1A2CYP2C9
SCHEMBL3033572 0.78 GRIN1 (0.43) GRIN1GRIN2BCACNA1B
SCHEMBL3042679 0.75 PIK3CA (0.36) GRIN1GRIN2BCACNA1B
SCHEMBL2804798 0.75 CACNA1B (0.37) GRIN1GRIN2BCACNA1B
SCHEMBL2786954 0.75 PGR (0.38) GRIN1GRIN2BCACNA1B
SCHEMBL3033244 0.75 GRIN1 (0.41) GRIN1GRIN2BCYP1A2CYP2C9CYP2C19
SCHEMBL8063130 0.74 ITGB2 (0.41) GRIN1GRIN2BPOLBNPC1
SCHEMBL3031553 0.74 ITGB2 (0.41) GRIN1GRIN2BPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 SCN9A 246/4885GRIN1 134/4885GRIN2B 109/4885

“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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