SCHEMBL3021050

SCHEMBL3021050

Cn1cnc(CN2C(=O)C(C)(Cc3cncnc3)c3cc(-c4ccc(F)c(Cl)c4)ccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 11/20 0.37
▸ GRIN2B Q13224 11/20 0.37
▸ PGR P06401 3/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CD O00329 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
SCHEMBL3014591 0.82 SCN9A (0.40) GRIN1GRIN2BKCNH2CACNA1B
SCHEMBL3036262 0.77 GRIN1 (0.40) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL2786954 0.76 PGR (0.38) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL3028107 0.76 ITGB2 (0.42) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL29603907 0.75 CACNA1B (0.39) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL3042679 0.75 PIK3CA (0.36) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL2804798 0.75 CACNA1B (0.37) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL3021656 0.74 GRIN1 (0.45) GRIN1GRIN2B
SCHEMBL3033572 0.74 GRIN1 (0.43) GRIN1GRIN2BPGRNR3C1NR3C2
SCHEMBL2806300 0.73 ITGB2 (0.37) GRIN1GRIN2BPGRNR3C1NR3C2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 GRIN1 134/4885GRIN2B 109/4885PGR 4426/4885

“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.

Send feedback