SCHEMBL2806300

SCHEMBL2806300

CC1(Cc2cncnc2)C(=O)N(c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PIK3CD O00329 3/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ PGR P06401 3/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ NR3C2 P08235 1/20 0.30
▸ AR P10275 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30

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 0.84 GRIN1 (0.40) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL2804798 0.79 CACNA1B (0.37) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3028107 0.78 ITGB2 (0.42) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3033572 0.77 GRIN1 (0.43) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL29603907 0.77 CACNA1B (0.39) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3042679 0.76 PIK3CA (0.36) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL2786954 0.76 PGR (0.38) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3033244 0.76 GRIN1 (0.41) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3043842 0.74 CACNA1B (0.37) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3014591 0.74 SCN9A (0.40) GRIN1GRIN2BCACNA1B

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 11 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 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
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
EP-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP disclosed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO disclosed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — 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-20100216815-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 ITGB2 1204/4885ICAM1 720/4885ITGAL 904/4885

“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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