SCHEMBL3036262

SCHEMBL3036262

CC1(Cc2cncnc2)C(=O)N(c2ncccn2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 8/20 0.40
▸ GRIN2B Q13224 8/20 0.40
▸ ITGB2 P05107 1/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ ITGAL P20701 1/20 0.39
▸ CACNA1B Q00975 1/20 0.37
▸ PGR P06401 4/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ GRM2 Q14416 2/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL3033244 0.92 GRIN1 (0.41) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2784445 0.89 ITGB2 (0.41) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3041111 0.89 DRD2 (0.38) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3028107 0.88 ITGB2 (0.42) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2804798 0.88 CACNA1B (0.37) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3033572 0.87 GRIN1 (0.43) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL29603907 0.85 CACNA1B (0.39) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3042679 0.84 PIK3CA (0.36) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2786954 0.84 PGR (0.38) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2806300 0.84 ITGB2 (0.37) GRIN1GRIN2BITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US claimed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP claimed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US claimed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273749-B2 N-substituted oxindoline derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
EP-2209373-B1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME (US) 2012-05-23 — — EP disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — US disclosed
US-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO. INC. 2010-08-26 — — 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-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 GRIN1 134/4885GRIN2B 109/4885ITGB2 1204/4885

“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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