SCHEMBL2661588

SCHEMBL2661588

COc1ccc(CN2Cc3nc4c(-c5cncc(OC)c5)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.43
▸ CYP11B2 P19099 5/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ TLR7 Q9NYK1 3/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ TNIK Q9UKE5 2/20 0.34
▸ DHPS P49366 1/20 0.34
▸ IDH1 O75874 1/20 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
SCHEMBL4919239 0.88 KDM4E (0.37) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL2661277 0.86 LCK (0.43) MEN1KMT2AKDM4EHRH4CHRM5
SCHEMBL2661358 0.86 PDE5A (0.40) MEN1KMT2AKDM4EHRH4CHRM5
SCHEMBL2660988 0.85 MEN1 (0.40) MEN1KMT2AKDM4EHRH4TNIK
SCHEMBL2661373 0.84 GABRG2 (0.43) MEN1KMT2AKDM4ECYP17A1CHRM5
SCHEMBL2661248 0.84 GABRG2 (0.45) MEN1KMT2AKDM4ECHRM5PDE5A
SCHEMBL2661222 0.84 CRHR1 (0.42) MEN1KMT2AKDM4ECHRM5PDE5A
SCHEMBL2661670 0.83 KDM4E (0.39) MEN1KMT2AKDM4EHRH4CHRM5
SCHEMBL2655999 0.82 MEN1 (0.40) MEN1KMT2AKDM4EAURKAPDE5A
SCHEMBL2661184 0.82 KDM4E (0.39) MEN1KMT2AKDM4ECHRM5AURKA

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 CYP11B1 406/4885CYP11B2 381/4885MEN1 1506/4885

“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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