SCHEMBL2655981

SCHEMBL2655981

COc1ccc(Cl)cc1-c1cccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.38
▸ GABRG2 P18507 9/20 0.37
▸ GABRB3 P28472 9/20 0.37
▸ GABRA2 P47869 9/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL2660785 0.90 GABRG2 (0.43) GABRG2GABRB3GABRA2ENPP3ENPP1
SCHEMBL4912616 0.90 GABRG2 (0.48) GABRG2GABRB3GABRA2ENPP3ENPP1
SCHEMBL2658318 0.89 GABRG2 (0.37) GABRG2GABRB3GABRA2ENPP3ENPP1
SCHEMBL2655753 0.89 UGCG (0.39) GABRG2GABRB3GABRA2ALDH1A1MEN1
SCHEMBL4913543 0.88 CRHR1 (0.33) CRHR1KDM4EDPP4DPP8
SCHEMBL2657791 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA2MEN1KMT2A
SCHEMBL2660596 0.85 HSP90AA1 (0.35) CRHR1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL2658032 0.85 UGCG (0.33) GABRG2GABRB3GABRA2ALDH1A1MEN1
SCHEMBL4919724 0.85 CRHR1 (0.41) CRHR1GABRG2GABRB3GABRA2ENPP3
SCHEMBL2657086 0.84 UGCG (0.36) CRHR1GABRG2GABRB3GABRA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO 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 CRHR1 60/4885GABRG2 592/4885GABRB3 332/4885

“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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