SCHEMBL3033572

SCHEMBL3033572

CC1(Cc2cncnc2)C(=O)N(c2cccnc2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.43
▸ GRIN2B Q13224 3/20 0.43
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ AR P10275 2/20 0.38
▸ ELANE P08246 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ PGR P06401 3/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ GRM4 Q14833 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL3028107 0.90 ITGB2 (0.42) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3036262 0.87 GRIN1 (0.40) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2804798 0.81 CACNA1B (0.37) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL2786954 0.81 PGR (0.38) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3042679 0.81 PIK3CA (0.36) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3043842 0.81 CACNA1B (0.37) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3034924 0.80 ITGB2 (0.43) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3033244 0.79 GRIN1 (0.41) GRIN1GRIN2BITGB2ICAM1ITGAL
SCHEMBL3014591 0.78 SCN9A (0.40) GRIN1GRIN2BCACNA1B
SCHEMBL2806300 0.77 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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