SCHEMBL3402667

SCHEMBL3402667

O=C(NC(c1ccc(O)cc1)c1ccc(O)cc1)c1cnc(-c2cccnn2)nc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.53
CYP2C8 P10632 1/20 0.51
EGLN2 Q96KS0 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.40
HSD17B2 P37059 2/20 0.36
TACR3 P29371 3/20 0.35
SLC2A1 P11166 1/20 0.35
S1PR3 Q99500 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC6A9 P48067 1/20 0.32
HPGDS O60760 1/20 0.32
HDAC4 P56524 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL13691446 0.95 EGLN1 (0.49) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL3433048 0.92 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL4531181 0.92 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL3402703 0.92 EGLN1 (0.64) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL3406643 0.92 EGLN1 (0.63) EGLN1CYP2C8EGLN2EGLN3HSD17B2
SCHEMBL29694322 0.88 EGLN1 (0.67) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL3407165 0.88 EGLN1 (0.67) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL4531157 0.88 EGLN1 (0.52) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL3408574 0.87 EGLN1 (0.66) EGLN1CYP2C8EGLN2EGLN3TRPM8
SCHEMBL20538492 0.87 EGLN1 (0.55) EGLN1CYP2C8EGLN2EGLN3HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP claimed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US claimed
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP claimed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO claimed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US claimed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
EP-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 US 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-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides HIF1AN, EGLN2, EGLN3 EGLN1 5/4885CYP2C8 393/4885EGLN2 2/4885

“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.