SCHEMBL3038075

SCHEMBL3038075

CC1(Cc2cncnc2)C(=O)N(c2nc[nH]n2)c2ccc(-c3ccc(F)c(F)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 9/20 0.39
▸ GRIN2B Q13224 9/20 0.39
▸ PIK3CD O00329 2/20 0.36
▸ CYP1A2 P05177 6/20 0.34
▸ CYP3A4 P08684 6/20 0.34
▸ USP2 O75604 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL2804798 0.92 CACNA1B (0.37) GRIN1GRIN2BPIK3CDITGB2ICAM1
SCHEMBL3033244 0.87 GRIN1 (0.41) GRIN1GRIN2BPIK3CDCYP1A2CYP3A4
SCHEMBL2805793 0.84 GRIN1 (0.38) GRIN1GRIN2BPIK3CDCYP1A2CYP3A4
SCHEMBL2807065 0.83 BACE1 (0.36) GRIN1GRIN2BPIK3CD
SCHEMBL3043850 0.80 GRIN1 (0.41) GRIN1GRIN2BPIK3CDCYP1A2CYP3A4
SCHEMBL3036262 0.79 GRIN1 (0.40) GRIN1GRIN2BPIK3CDITGB2ICAM1
SCHEMBL3041111 0.78 DRD2 (0.38) GRIN1GRIN2BPIK3CDCYP3A4ITGB2
SCHEMBL2786954 0.76 PGR (0.38) GRIN1GRIN2BPIK3CDITGB2ICAM1
SCHEMBL3047154 0.75 ITGB2 (0.38) GRIN1GRIN2BPIK3CDITGB2ICAM1
SCHEMBL29603907 0.75 CACNA1B (0.39) GRIN1GRIN2BPIK3CDITGB2ICAM1

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 109/4885PIK3CD 3068/4885

“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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