SCHEMBL212751

SCHEMBL212751

O=C(O)c1cc2ccncc2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
NAPRT Q6XQN6 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KMO O15229 1/20 0.45
ALDH1A1 P00352 5/20 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
MAPT P10636 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
SCHEMBL2056894 0.93 KDM4E (0.47) KDM4ENAPRTHCAR2KMOALDH1A1
SCHEMBL20950927 0.84 LCK (0.49) KDM4EMAPTIMPDH2CSNK1DCSNK1E
SCHEMBL15610421 0.80 KDR (0.45) KDM4EALDH1A1MAPTIMPDH2CYP3A4
SCHEMBL29746814 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1ASPH
SCHEMBL29489052 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1ASPH
SCHEMBL155043 0.79 EGLN1 (0.54) KDM4ENAPRTKMOALDH1A1ASPH
SCHEMBL27360353 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1ASPH
Hydrochloric Acid SCHEMBL27469719 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1ASPH
Water SCHEMBL1201320 0.77 EGLN1 (0.53) KDM4ENAPRTKMOALDH1A1ASPH
SCHEMBL2728132 0.76 GABRA1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3281/4885NAPRT 2716/4885HCAR2 1339/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885NAPRT 2716/4885HCAR2 1339/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 KDM4E 3281/4885NAPRT 2716/4885HCAR2 1339/4885

“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.