SCHEMBL2658971

SCHEMBL2658971

COc1ccc(F)cc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 6/20 0.39
▸ GABRB3 P28472 6/20 0.39
▸ GABRA2 P47869 6/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCNT1 O60563 8/20 0.32
▸ CDK9 P50750 8/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ UGCG Q16739 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL2660626 0.93 GABRG2 (0.37) GABRG2GABRB3GABRA2DPP4NPC1
SCHEMBL2659113 0.92 GABRG2 (0.47) GABRG2GABRB3GABRA2DPP4
SCHEMBL2657622 0.91 UGCG (0.35) GABRG2GABRB3GABRA2DPP4UGCG
SCHEMBL4916255 0.88 GABRG2 (0.33) GABRG2GABRB3GABRA2UGCGBACE1
SCHEMBL2658318 0.88 GABRG2 (0.37) GABRG2GABRB3GABRA2DPP4NPC1
SCHEMBL2657000 0.87 GABRG2 (0.46) GABRG2GABRB3GABRA2
SCHEMBL2658291 0.86 CA1 (0.35) GABRG2GABRB3GABRA2
SCHEMBL2655965 0.85 GABRG2 (0.40) GABRG2GABRB3GABRA2BACE1
SCHEMBL2657278 0.85 GABRG2 (0.32) GABRG2GABRB3GABRA2
SCHEMBL2655495 0.84 GABRG2 (0.43) GABRG2GABRB3GABRA2DPP4CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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