SCHEMBL14809241

SCHEMBL14809241

O=C(NC(c1ccccc1)P(=O)(O)O)c1cnc(-c2cccnn2)nc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.50
CYP2C8 P10632 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
ACP3 P15309 5/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
MAPK1 P28482 1/20 0.33
SLC2A1 P11166 1/20 0.33
TACR3 P29371 1/20 0.33
VNN1 O95497 1/20 0.33
DHODH Q02127 1/20 0.33
SLC6A9 P48067 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK8 P45983 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL14808786 0.89 EGLN1 (0.42) EGLN1CYP2C8EGLN2EGLN3CTSV
SCHEMBL14809261 0.88 EGLN1 (0.54) EGLN1CYP2C8EGLN2EGLN3ACP3
SCHEMBL14820742 0.88 HPGDS (0.43) EGLN1ACP3SLC2A1HPGDS
SCHEMBL3406643 0.88 EGLN1 (0.63) EGLN1CYP2C8EGLN2EGLN3SLC2A1
SCHEMBL16243670 0.86 CYP3A4 (0.48) EGLN1CYP2C8EGLN2EGLN3CTSV
SCHEMBL14821261 0.86 EGLN1 (0.47) EGLN1CYP2C8EGLN2EGLN3ACP3
SCHEMBL20538492 0.85 EGLN1 (0.55) EGLN1CYP2C8EGLN2EGLN3SLC2A1
SCHEMBL3434896 0.83 EGLN1 (0.50) EGLN1CYP2C8EGLN2EGLN3CTSV
SCHEMBL3430833 0.83 EGLN1 (0.50) EGLN1CYP2C8EGLN2EGLN3CTSV
SCHEMBL14822227 0.82 EGLN1 (0.49) EGLN1CYP2C8EGLN2EGLN3CTSV

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 14 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
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 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-2013043624-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
WO-2013040790-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.