SCHEMBL2660640

SCHEMBL2660640

COc1ccc(-c2c(F)ccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.42
▸ MTOR P42345 9/20 0.42
▸ ERN1 O75460 1/20 0.36
▸ AKT1 P31749 2/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ BMPR1A P36894 2/20 0.34
▸ ACVRL1 P37023 2/20 0.34
▸ ACVR1 Q04771 2/20 0.34

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
SCHEMBL2660434 0.88 BMPR1A (0.38) MTORAKT1SCDBMPR1AACVRL1
SCHEMBL2669389 0.87 PIK3CA (0.38) PIK3CAMTORGABRG2GABRB3GABRA2
SCHEMBL2669535 0.85 PIK3CA (0.46) PIK3CAMTORAKT1
SCHEMBL2661662 0.85 CNR1 (0.39) PIK3CAMTORGABRG2GABRB3GABRA2
SCHEMBL4922995 0.84 GABRG2 (0.42) PIK3CAMTORGABRG2GABRB3GABRA2
SCHEMBL2660485 0.84 GABRG2 (0.51) PIK3CAMTORGABRG2GABRB3GABRA2
SCHEMBL2662086 0.83 PIK3CA (0.46) PIK3CAMTORAKT1BMPR1AACVRL1
SCHEMBL4920565 0.82 PDE4A (0.36) BMPR1AACVRL1ACVR1
SCHEMBL2657148 0.81 MTOR (0.35) PIK3CAMTORERN1GABRG2GABRB3
SCHEMBL2660960 0.81 PDE4A (0.41) PIK3CAGABRG2GABRB3GABRA2

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 7 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
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 3396/4885MTOR 2672/4885ERN1 3061/4885

“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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