SCHEMBL3038782

SCHEMBL3038782

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2ncccn2)c2ccc(-c3cc(C(F)(F)F)ccc3F)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ CTSA P10619 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ ALOX5AP P20292 4/20 0.31
▸ FEN1 P39748 4/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ MAT2A P31153 2/20 0.30
▸ SUCNR1 Q9BXA5 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
SCHEMBL3031160 0.88 SLC6A7 (0.38) SCN9ABACE1
SCHEMBL3037370 0.86 SUCNR1 (0.38) ITGB2ICAM1ITGALSUCNR1
SCHEMBL3047154 0.85 ITGB2 (0.38) ITGB2ICAM1ITGALSCN9APIK3CD
SCHEMBL3040094 0.83 ITGB2 (0.37) ITGB2ICAM1ITGALPIK3CD
SCHEMBL2784445 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALPIK3CDSUCNR1
SCHEMBL3040098 0.81 PGR (0.43) ITGB2ICAM1ITGALBACE1
SCHEMBL8810824 0.81 PGR (0.43) ITGB2ICAM1ITGALBACE1
SCHEMBL2785547 0.79 SLC11A2 (0.44) SCN9ABACE1
SCHEMBL3046626 0.77 SUCNR1 (0.37) ITGB2ICAM1ITGALSUCNR1
SCHEMBL3037745 0.77 GRIN1 (0.39) ITGB2ICAM1ITGALBACE1

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 12 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
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
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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