SCHEMBL2056894

SCHEMBL2056894

O=C(O)c1cc2cnccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NAPRT Q6XQN6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KMO O15229 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
ASPH Q12797 3/20 0.44
KDM8 Q8N371 2/20 0.44
KDM6B O15054 2/20 0.44
KDM4A O75164 2/20 0.44
KDM4D Q6B0I6 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
TET3 O43151 1/20 0.44
BBOX1 O75936 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
TET2 Q6N021 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
KDM7A Q6ZMT4 1/20 0.44
TET1 Q8NFU7 1/20 0.44

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
SCHEMBL212751 0.93 KDM4E (0.47) KDM4ENAPRTHCAR2KMOALDH1A1
SCHEMBL31055620 0.80 KDM4E (0.50) KDM4ENAPRTHCAR2KMOALDH1A1
SCHEMBL4670841 0.80 KDM4E (0.50) KDM4ENAPRTHCAR2KMOALDH1A1
SCHEMBL1871269 0.80 LCK (0.52) KDM4EALDH1A1MAPTIMPDH2CYP3A4
SCHEMBL29746814 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1MAPT
SCHEMBL29489052 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1MAPT
SCHEMBL155043 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1MAPT
Hydrochloric Acid SCHEMBL27469719 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1MAPT
SCHEMBL27360353 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1MAPT
Water SCHEMBL1201320 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1MAPT

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
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885NAPRT 1586/4885HCAR2 71/4885

“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.