SCHEMBL14809261

SCHEMBL14809261

COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)nc2O)P(=O)(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.54
CYP2C8 P10632 1/20 0.54
EGLN2 Q96KS0 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.54
ACP3 P15309 3/20 0.39
KCNH2 Q12809 1/20 0.38
TACR3 P29371 2/20 0.36
PDE2A O00408 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL29694322 0.89 EGLN1 (0.67) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL3407165 0.89 EGLN1 (0.67) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL14809681 0.89 EGLN1 (0.57) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL3408574 0.89 EGLN1 (0.66) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL14809241 0.88 EGLN1 (0.50) EGLN1CYP2C8EGLN2EGLN3ACP3
SCHEMBL3433048 0.87 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL4531181 0.87 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL3402703 0.87 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL14808786 0.86 EGLN1 (0.42) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL4537840 0.85 EGLN1 (0.59) EGLN1CYP2C8EGLN2EGLN3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP claimed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US claimed
EP-2758059-B1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME (US) 2018-10-24 EP disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 US disclosed
EP-2758059-A1 SUBSTITUTED PYRIMIDINES Merck Sharp & Dohme Corp. (US) 2014-07-30 EP disclosed
WO-2013040790-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043624-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 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-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 EGLN1 7/4885CYP2C8 1401/4885EGLN2 4/4885

“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.