SCHEMBL3042679

SCHEMBL3042679

CC1(Cc2cncnc2)C(=O)N(c2cnc(N)cn2)c2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ PGR P06401 3/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ AR P10275 1/20 0.34
▸ BACE1 P56817 4/20 0.33
▸ CTSD P07339 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ BACE2 Q9Y5Z0 2/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 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
SCHEMBL2784155 0.90 PIK3CA (0.36) PIK3CAITGB2ICAM1ITGALGRIN1
SCHEMBL3034056 0.89 PGR (0.40) ITGB2ICAM1ITGALPGRBACE1
SCHEMBL3043842 0.88 CACNA1B (0.37) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL2786954 0.84 PGR (0.38) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL3036262 0.84 GRIN1 (0.40) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL3028107 0.83 ITGB2 (0.42) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL29603907 0.82 CACNA1B (0.39) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL2785053 0.81 PGR (0.39) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL2804798 0.81 CACNA1B (0.37) ITGB2ICAM1ITGALCACNA1BGRIN1
SCHEMBL3033572 0.81 GRIN1 (0.43) ITGB2ICAM1ITGALCACNA1BGRIN1

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 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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