SCHEMBL2661112

SCHEMBL2661112

Cc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ GRM5 P41594 4/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CDK4 P11802 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
SCHEMBL2662121 0.96 MAPK1 (0.34) CRHR1NPY1RNPY5RMAPK1ACHE
SCHEMBL2661491 0.89 MAPK1 (0.35) BMPR1AACVRL1ACVR1POLBPARP1
SCHEMBL2656990 0.85 MAPK1 (0.39) NPY1RNPY5RMAPK1GRM5
SCHEMBL2669594 0.83 BMPR1A (0.40) BMPR1AACVRL1ACVR1POLBPARP1
SCHEMBL4923597 0.83 MAPK1 (0.35) BMPR1AACVRL1ACVR1POLBPARP1
SCHEMBL2661432 0.83 MAPK1 (0.34) NPY1RNPY5RMAPK1ACHEGRM5
SCHEMBL4913530 0.82 CNR1 (0.36) POLBPARP1HTTESR2CRHR1
SCHEMBL2669534 0.82 LCK (0.46) BMPR1AACVRL1ACVR1
SCHEMBL2669400 0.81 PIK3CA (0.35) BMPR1AACVRL1ACVR1POLBPARP1
SCHEMBL2660877 0.81 MAPK1 (0.43) POLBPARP1HTTESR2NPY1R

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 BMPR1A 1929/4885ACVRL1 3949/4885ACVR1 4057/4885

“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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