SCHEMBL3034056

SCHEMBL3034056

CC1(Cc2cncnc2)C(=O)N(c2cnc(N)cn2)c2ccc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.40
▸ BACE1 P56817 9/20 0.40
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ CTSD P07339 4/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GRM5 P41594 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
SCHEMBL3042679 0.89 PIK3CA (0.36) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL2785053 0.89 PGR (0.39) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL2784155 0.79 PIK3CA (0.36) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL3037435 0.78 PGR (0.39) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL3033345 0.77 PGR (0.40) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL3043842 0.77 CACNA1B (0.37) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL8808686 0.76 PGR (0.41) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL2786604 0.76 PGR (0.41) PGRBACE1ITGB2ICAM1ITGAL
SCHEMBL12678449 0.75 BACE1 (0.35) PGRBACE1CYP1A2CYP2C9HSD17B10
SCHEMBL3027206 0.75 GRIN1 (0.43) BACE1CTSD

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 6 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
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

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 PGR 4426/4885BACE1 236/4885ITGB2 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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