SCHEMBL3027206

SCHEMBL3027206

CC1(Cc2cncnc2)C(=O)N(c2cnccn2)c2ccc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 13/20 0.43
▸ GRIN2B Q13224 13/20 0.43
▸ SCN9A Q15858 1/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ SLC11A2 P49281 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CTSD P07339 1/20 0.35

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
SCHEMBL3042061 0.91 SLC11A2 (0.44) GRIN1GRIN2BBACE1BACE2SLC11A2
SCHEMBL3027215 0.91 GRIN1 (0.39) GRIN1GRIN2BSCN9ABACE1BACE2
SCHEMBL3040774 0.81 GRIN1 (0.40) GRIN1GRIN2BSCN9ABACE1BACE2
SCHEMBL2785547 0.80 SLC11A2 (0.44) GRIN1GRIN2BSCN9ABACE1SLC11A2
SCHEMBL3033345 0.78 PGR (0.40) GRIN1GRIN2BBACE1KDM4ECTSD
SCHEMBL3037421 0.78 GRIN1 (0.40) GRIN1GRIN2BBACE1KDM4ECTSD
SCHEMBL3031170 0.78 DRD2 (0.41) GRIN1GRIN2BSLC11A2
SCHEMBL3040418 0.77 BACE1 (0.37) GRIN1GRIN2BSCN9ABACE1BACE2
SCHEMBL3031160 0.77 SLC6A7 (0.38) GRIN1GRIN2BSCN9ABACE1SLC11A2
SCHEMBL2786317 0.76 BACE1 (0.38) GRIN1GRIN2BSCN9ABACE1BACE2

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 GRIN1 134/4885GRIN2B 109/4885SCN9A 246/4885

“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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