SCHEMBL14660751

SCHEMBL14660751

O=C1COc2cncc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.34
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CCNC P24863 3/20 0.31
CDK8 P49336 3/20 0.31
HASPIN Q8TF76 3/20 0.31
CDK19 Q9BWU1 3/20 0.31

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
SCHEMBL9780105 0.71 TSHR (0.40) KDM4EGAAMAOB
SCHEMBL18572463 0.70 ALDH1A1 (0.45) KDM4EGAAMAOBCCNCCDK8
SCHEMBL14661529 0.69
SCHEMBL3227929 0.68 KDM4E (0.47) KDM4EGAAMAOB
SCHEMBL7015598 0.63 CDC25B (0.36)
SCHEMBL4822863 0.63 MAOB (0.39) MAOB
Hydrochloric Acid SCHEMBL3597821 0.61 MAOB (0.38) MAOB
SCHEMBL16357239 0.61 MAPT (0.42) KDM4EMAOB
SCHEMBL16836537 0.61 KDM4E (0.39) KDM4EMAOB
SCHEMBL12273329 0.60 MAOB (0.35) MAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US disclosed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 EP disclosed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 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-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 KDM4E 2890/4885GAA 3922/4885MAOB 1170/4885

“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.