SCHEMBL2661594

SCHEMBL2661594

COc1ccc(CN2Cc3nc4c(-c5ccccc5C(F)(F)F)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.40
▸ WDR48 Q8TAF3 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ENPP1 P22413 2/20 0.37
▸ KLK7 P49862 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35

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
SCHEMBL2661670 0.87 KDM4E (0.39) POLBKDM4ECASP3IDH1MEN1
SCHEMBL2661184 0.86 KDM4E (0.39) KDM4ECASP3IDH1MEN1KMT2A
SCHEMBL2660778 0.84 MAPT (0.40) KDM4ECASP3IDH1MEN1KMT2A
SCHEMBL2661248 0.84 GABRG2 (0.45) KDM4EENPP1MEN1KMT2AENPP3
SCHEMBL2661222 0.84 CRHR1 (0.42) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL2656179 0.84 LMNA (0.39) KDM4ECASP3IDH1MEN1KMT2A
SCHEMBL2655786 0.83 KDM4E (0.40) KDM4ECASP3IDH1MEN1KMT2A
SCHEMBL2660724 0.83 MAPT (0.39) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL2661185 0.83 GABRG2 (0.39) KDM4EENPP1LMNAHTTNPSR1
SCHEMBL2661041 0.83 LMNA (0.38) KDM4EMEN1KMT2ALMNAHTT

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 USP1 1359/4885WDR48 1407/4885POLB 2852/4885

“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.

Send feedback