SCHEMBL2662110

SCHEMBL2662110

COc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.41
▸ GABRG2 P18507 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRA2 P47869 3/20 0.38
▸ PDE4A P27815 6/20 0.35
▸ BTK Q06187 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL2661625 0.96 GABRG2 (0.39) PIK3CAGABRG2GABRB3GABRA2PDE4A
SCHEMBL8104270 0.89 MTOR (0.36) PIK3CAGABRG2GABRB3GABRA2PDE4A
SCHEMBL2656626 0.89 MTOR (0.36) PIK3CAGABRG2GABRB3GABRA2PDE4A
SCHEMBL8109980 0.89 MTOR (0.36) PIK3CAGABRG2GABRB3GABRA2PDE4A
SCHEMBL2661936 0.88 MAPK1 (0.35) PIK3CAPDE4AMAPK1
SCHEMBL2658060 0.88 PIK3CA (0.45) PIK3CAGABRG2GABRB3GABRA2PDE4A
SCHEMBL2660485 0.87 GABRG2 (0.51) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL2669390 0.87 GABRG2 (0.40) PIK3CAGABRG2GABRB3GABRA2NPY1R
SCHEMBL2660827 0.86 PIK3CA (0.47) PIK3CAGABRG2GABRB3GABRA2BTK
SCHEMBL2661661 0.85 MDM2 (0.40) PIK3CAGABRG2GABRB3GABRA2MTOR

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 PIK3CA 3396/4885GABRG2 592/4885GABRB3 332/4885

“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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