SCHEMBL2661845

SCHEMBL2661845

COc1ccc(CN2Cc3nc4c(-c5cc(C)nn5C)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE5A O76074 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL2660753 0.84 LMNA (0.36) KDM4EMEN1KMT2AALDH1A1HRH4
SCHEMBL2661222 0.83 CRHR1 (0.42) KDM4EMEN1KMT2ACHRM5ALDH1A1
SCHEMBL2661248 0.83 GABRG2 (0.45) KDM4EMEN1KMT2ACHRM5ALDH1A1
SCHEMBL2661116 0.83 GABRG2 (0.42) KDM4EALDH1A1PDE5APDE10A
SCHEMBL2660988 0.83 MEN1 (0.40) KDM4EMEN1KMT2AALDH1A1HRH4
SCHEMBL2655786 0.83 KDM4E (0.40) WDR5KDM4EMEN1KMT2ACHRM5
SCHEMBL2661670 0.82 KDM4E (0.39) KDM4EMEN1KMT2ACHRM5ALDH1A1
SCHEMBL2661180 0.82 PDE5A (0.37) KDM4EMEN1KMT2ACHRM5ALDH1A1
SCHEMBL2661041 0.82 LMNA (0.38) WDR5KDM4EMEN1KMT2ACHRM5
SCHEMBL2661358 0.82 PDE5A (0.40) KDM4EMEN1KMT2ACHRM5ALDH1A1

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 WDR5 2513/4885KDM4E 2357/4885MEN1 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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