SCHEMBL3041111

SCHEMBL3041111

CC1(Cc2cncnc2)C(=O)N(c2ncccn2)c2ccc(-c3ccc(F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ PIK3CD O00329 7/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ CYP3A4 P08684 3/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31

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
SCHEMBL3033244 0.91 GRIN1 (0.41) PIK3CDITGB2ICAM1ITGALGRIN1
SCHEMBL3031170 0.89 DRD2 (0.41) DRD2DRD4DRD3PIK3CDITGB2
SCHEMBL3040094 0.89 ITGB2 (0.37) DRD2DRD4DRD3PIK3CDITGB2
SCHEMBL3036262 0.89 GRIN1 (0.40) PIK3CDITGB2ICAM1ITGALGRIN1
SCHEMBL3047154 0.81 ITGB2 (0.38) PIK3CDITGB2ICAM1ITGALGRIN1
SCHEMBL8810824 0.78 PGR (0.43) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL2784445 0.78 ITGB2 (0.41) PIK3CDITGB2ICAM1ITGALGRIN1
SCHEMBL3040098 0.78 PGR (0.43) ITGB2ICAM1ITGALGRIN1GRIN2B
SCHEMBL3038075 0.78 GRIN1 (0.39) PIK3CDITGB2ICAM1ITGALGRIN1
SCHEMBL3037370 0.77 SUCNR1 (0.38) ITGB2ICAM1ITGALGRIN1GRIN2B

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 12 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
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
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO 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 DRD2 68/4885DRD4 262/4885DRD3 126/4885

“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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