SCHEMBL2784155

SCHEMBL2784155

CC1(Cc2cc(F)cc(F)c2)C(=O)N(c2cnc(N)cn2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ PGR P06401 4/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ AR P10275 1/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ GRIN2B Q13224 4/20 0.34
▸ BACE1 P56817 3/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PTPN11 Q06124 2/20 0.32
▸ CTSD P07339 2/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL3042679 0.90 PIK3CA (0.36) PIK3CAITGB2ICAM1ITGALPGR
SCHEMBL2785053 0.90 PGR (0.39) ITGB2ICAM1ITGALPGRGRIN1
SCHEMBL8063130 0.84 ITGB2 (0.41) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3031553 0.84 ITGB2 (0.41) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3040619 0.83 PGR (0.37) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3028215 0.83 PGR (0.39) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3037812 0.83 ITGB2 (0.37) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL2784445 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3034924 0.81 ITGB2 (0.43) ITGB2ICAM1ITGALPGRNR3C1
SCHEMBL3034056 0.79 PGR (0.40) ITGB2ICAM1ITGALPGRBACE1

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 14 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
EP-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP claimed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO 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 PIK3CA 4087/4885ITGB2 1204/4885ICAM1 720/4885

“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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