SCHEMBL2662167

SCHEMBL2662167

COc1cccc(Cl)c1-c1c(F)ccc2c(N)c3c(nc12)CN(C1CC1)C3=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ HTR2C P28335 4/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ GABRG2 P18507 3/20 0.32
▸ GABRB3 P28472 3/20 0.32
▸ GABRA2 P47869 3/20 0.32
▸ TNF P01375 1/20 0.32
▸ LITAF Q99732 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL2661051 0.93 MAPK1 (0.38) MAPK1NPY1RNPY5RPDE4AHTR2C
SCHEMBL2662193 0.86 MAPK1 (0.39) MAPK1NPY1RNPY5RPDE4AGABRG2
SCHEMBL2669536 0.86 NPY1R (0.41) MAPK1NPY1RNPY5RPDE4AGABRG2
SCHEMBL2661319 0.86 NPY1R (0.39) HSP90AA1HSP90AB1MAPK1NPY1RNPY5R
SCHEMBL2655742 0.86 PDE4A (0.37) HSP90AA1MAPK1NPY1RNPY5RPDE4A
SCHEMBL2661690 0.84 GABRA1 (0.44) MAPK1NPY1RNPY5RPDE4AHTR2C
SCHEMBL4916245 0.83 GABRG2 (0.37) MAPK1NPY1RNPY5RGABRG2GABRB3
SCHEMBL4916018 0.83 GABRG2 (0.43) NPY1RNPY5RPDE4AGABRG2GABRB3
SCHEMBL2669390 0.83 GABRG2 (0.40) MAPK1NPY1RNPY5RGABRG2GABRB3
SCHEMBL2660594 0.83 NPY1R (0.38) HSP90AA1HSP90AB1NPY1RNPY5RHTR2B

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 HSP90AA1 4097/4885HSP90AB1 4007/4885MAPK1 3191/4885

“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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