SCHEMBL8104270

SCHEMBL8104270

COc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN([C@H]1CCOC1)C3=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ PIK3CA P42336 4/20 0.35
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ PDE1B Q01064 3/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ SCN9A Q15858 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
SCHEMBL8109980 1.00 MTOR (0.36) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2656626 1.00 MTOR (0.36) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2661625 0.91 GABRG2 (0.39) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2662110 0.89 PIK3CA (0.41) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2661397 0.80 CREBBP (0.39) MTORGABRG2GABRB3PIK3CAATR
SCHEMBL2669506 0.80 CREBBP (0.39) MTORGABRG2GABRB3PIK3CAATR
SCHEMBL2656682 0.80 GABRG2 (0.36) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2660996 0.79 PIK3CA (0.42) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2655882 0.78 MTOR (0.36) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2657245 0.78 SCN9A (0.35) GABRG2GABRB3PIK3CASCN9A

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 3 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 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 MTOR 2672/4885GABRG2 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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