SCHEMBL2661222

SCHEMBL2661222

COc1ccc(CN2Cc3nc4c(-c5ccc(OC)cc5OC)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.42
▸ PDE5A O76074 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ GABRG2 P18507 9/20 0.38
▸ GABRB3 P28472 9/20 0.38
▸ GABRA2 P47869 9/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2660724 0.93 MAPT (0.39) CRHR1PDE5AKDM4EMEN1KMT2A
SCHEMBL2661248 0.93 GABRG2 (0.45) PDE5AKDM4EGABRG2GABRB3GABRA2
SCHEMBL2661947 0.90 CRHR1 (0.46) CRHR1PDE5AGABRG2GABRB3GABRA2
SCHEMBL2661184 0.89 KDM4E (0.39) PDE5AKDM4EGABRG2GABRB3GABRA2
SCHEMBL2661116 0.89 GABRG2 (0.42) PDE5AKDM4EGABRG2GABRB3GABRA2
SCHEMBL4920872 0.88 CRHR1 (0.47) CRHR1PDE5AKDM4EGABRG2GABRB3
SCHEMBL2661185 0.88 GABRG2 (0.39) PDE5AKDM4EGABRG2GABRB3GABRA2
SCHEMBL2661180 0.88 PDE5A (0.37) PDE5AKDM4EGABRG2GABRB3GABRA2
SCHEMBL2661358 0.88 PDE5A (0.40) CRHR1PDE5AKDM4ECHRM5MEN1
SCHEMBL2661373 0.88 GABRG2 (0.43) PDE5AKDM4EGABRG2GABRB3GABRA2

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 CRHR1 60/4885PDE5A 742/4885KDM4E 2357/4885

“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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