SCHEMBL2656990

SCHEMBL2656990

Cc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c(F)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ TOP2A P11388 2/20 0.31
▸ TOP2B Q02880 2/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ BTK Q06187 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
SCHEMBL2661491 0.96 MAPK1 (0.35) MAPK1NPY1RNPY5RGRM5
SCHEMBL2662121 0.88 MAPK1 (0.34) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL4921007 0.86 MAPK1 (0.36) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2661944 0.85 MAPK1 (0.47) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2669595 0.85 MAPK1 (0.47) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2661112 0.85 BMPR1A (0.32) MAPK1NPY1RNPY5RGRM5
SCHEMBL4924467 0.84 HRH4 (0.41) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2662522 0.83 MAPK1 (0.48) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2669596 0.83 PDE4A (0.42) MAPK1MAOAPDE4A
SCHEMBL2660844 0.83 NPY1R (0.41) MAPK1NPY1RNPY5RPDE4A

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 9 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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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
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 MAPK1 3191/4885NPY1R 126/4885NPY5R 104/4885

“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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