SCHEMBL2657651

SCHEMBL2657651

Nc1c2c(nc3c(-c4ccccn4)cccc13)CN(C1=CC=C1)C2=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ F12 P00748 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL2657594 0.85 ADORA2A (0.35) ADORA2A
SCHEMBL2658826 0.85 GRM5 (0.30) —
SCHEMBL2658037 0.83 PIK3CA (0.31) ADORA2AMAPT
SCHEMBL2661564 0.81 DPP4 (0.33) —
SCHEMBL2659248 0.80 LCK (0.47) —
SCHEMBL2655482 0.79 HRH4 (0.34) ALDH1A1
SCHEMBL2657587 0.79 MAPK10 (0.33) —
SCHEMBL2656047 0.77 — —
SCHEMBL2655656 0.77 GRM5 (0.33) —
SCHEMBL2655687 0.77 GABRG2 (0.33) —

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 BRD4 1608/4885TGFBR1 2011/4885ADORA2A 440/4885

“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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