SCHEMBL2661564

SCHEMBL2661564

N#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TBXAS1 P24557 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
SCHEMBL2661259 0.89 P2RX7 (0.32) —
SCHEMBL2661486 0.89 P2RX7 (0.30) —
SCHEMBL2661383 0.86 CYP3A4 (0.34) DPP4DGAT1
SCHEMBL2656851 0.85 DGAT1 (0.32) DGAT1
SCHEMBL2661719 0.83 DPP4 (0.37) DPP4CA1CA2
SCHEMBL2661263 0.83 TNIK (0.30) —
SCHEMBL2660107 0.83 ALDH1A1 (0.36) —
SCHEMBL2655753 0.82 UGCG (0.39) DPP4JAK2
SCHEMBL2660901 0.82 PIK3CA (0.36) JAK2
SCHEMBL2661474 0.82 HRH4 (0.32) —

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 DPP4 1427/4885CA1 568/4885CA2 4588/4885

“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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