SCHEMBL3409470

SCHEMBL3409470

C[C@H](NC(=O)c1cnc(-n2cccn2)nc1O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.54
MAPK8 P45983 1/20 0.48
KCNH2 Q12809 1/20 0.44
PTGER4 P35408 6/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
PDE2A O00408 1/20 0.43
PTGER2 P43116 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3405250 0.91 EGLN1 (0.63) EGLN1MAPK8PDE2AMAPK1ALDH1A1
SCHEMBL3435155 0.91 EGLN1 (0.63) EGLN1MAPK8PDE2AMAPK1ALDH1A1
SCHEMBL4535795 0.91 EGLN1 (0.63) EGLN1MAPK8PDE2AMAPK1ALDH1A1
SCHEMBL4525793 0.90 EGLN1 (0.66) EGLN1KCNH2ACACBPDE2A
SCHEMBL14809346 0.88 EGLN1 (0.56) EGLN1MAPK8KCNH2PTGER4PDE2A
SCHEMBL3409508 0.87 EGLN1 (0.64) EGLN1KCNH2PTGER4PDE2APTGER2
SCHEMBL3408585 0.87 EGLN1 (0.64) EGLN1KCNH2PTGER4PDE2APTGER2
SCHEMBL3409110 0.87 EGLN1 (0.64) EGLN1KCNH2PTGER4PDE2APTGER2
SCHEMBL3407323 0.87 EGLN1 (0.54) EGLN1KCNH2PDE2AMAPK1ALDH1A1
SCHEMBL3409543 0.87 EGLN1 (0.54) EGLN1KCNH2PDE2AMAPK1ALDH1A1

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-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP 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 5/4885MAPK8 3417/4885KCNH2 4228/4885

“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.