SCHEMBL2655786

SCHEMBL2655786

COc1ccc(CN2Cc3nc4c(-c5cccnc5OC)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ IDH1 O75874 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ APP P05067 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SENP8 Q96LD8 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
SCHEMBL2660778 0.90 MAPT (0.40) KDM4EHKDC1MEN1KMT2AIDH1
SCHEMBL2661915 0.89 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2661969 0.88 PDE5A (0.45) KDM4EMEN1KMT2AMAPTTHRB
SCHEMBL2655253 0.88 HSP90AB1 (0.37) KDM4EALDH1A1LMNA
SCHEMBL2656785 0.87 PIK3CA (0.37) MAPTWDR5PIK3CA
SCHEMBL2661302 0.86 HPGD (0.44) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL2661670 0.86 KDM4E (0.39) KDM4EMEN1KMT2AIDH1MAPT
SCHEMBL4922433 0.85 PIK3CA (0.36) KDM4EMAPTWDR5ALDH1A1LMNA
SCHEMBL2661373 0.85 GABRG2 (0.43) KDM4EMEN1KMT2AIDH1LMNA
SCHEMBL2661222 0.85 CRHR1 (0.42) KDM4EMEN1KMT2AMAPTALDH1A1

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 9 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
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
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 KDM4E 2357/4885HKDC1 3710/4885MEN1 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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