SCHEMBL2669400

SCHEMBL2669400

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.35
▸ MTOR P42345 3/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.33
▸ BRD7 Q9NPI1 1/20 0.33
▸ MAOA P21397 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ESR2 Q92731 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
SCHEMBL4911805 0.91 BRD9 (0.40) PIK3CAMTORNPY1RNPY5RBRD9
SCHEMBL4916839 0.90 GABRG2 (0.34) NPY1RNPY5RBRD9BRD7HSP90AA1
SCHEMBL4916846 0.90 GABRG2 (0.34) NPY1RNPY5RBRD9BRD7HSP90AA1
SCHEMBL8103339 0.90 GABRG2 (0.34) NPY1RNPY5RBRD9BRD7HSP90AA1
SCHEMBL13991074 0.90 GABRG2 (0.34) NPY1RNPY5RBRD9BRD7HSP90AA1
SCHEMBL2659903 0.89 BRD9 (0.40) PIK3CAMTORNPY1RNPY5RBRD9
SCHEMBL4923597 0.87 MAPK1 (0.35) PIK3CANPY1RNPY5RGRM5BMPR1A
SCHEMBL2657795 0.87 HSP90AA1 (0.39) NPY1RNPY5RHSP90AA1HSP90AB1GRM5
SCHEMBL4922995 0.86 GABRG2 (0.42) PIK3CAMTORBRD9BRD7MAOA
SCHEMBL4916106 0.85 NPY1R (0.42) NPY1RNPY5RPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
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

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 PIK3CA 3396/4885MTOR 2672/4885NPY1R 126/4885

“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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