SCHEMBL4535456

SCHEMBL4535456

O=C(NCc1ccc(C(F)(F)F)cc1F)c1cnc(-n2cccn2)nc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.42
PTGER4 P35408 1/20 0.41
JAK3 P52333 1/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
SORT1 Q99523 2/20 0.39
KLKB1 P03952 2/20 0.39
DGAT1 O75907 2/20 0.38
CCR1 P32246 2/20 0.38
MERTK Q12866 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL4521549 0.86 EGLN1 (0.53) EGLN1SORT1DGAT1MERTKKDM4E
SCHEMBL4535358 0.84 EGLN1 (0.43) EGLN1PPARGSORT1DGAT1MERTK
SCHEMBL3411065 0.84 TACR1 (0.48) EGLN1CCR1MERTKKDM4E
SCHEMBL3430517 0.79 TSHR (0.50) EGLN1KDM4E
SCHEMBL4540082 0.79 MERTK (0.48) EGLN1MERTK
SCHEMBL3433488 0.77 CHRNB2 (0.47) EGLN1MERTKKDM4E
SCHEMBL3404652 0.77 EGLN1 (0.56) EGLN1MERTKKDM4E
SCHEMBL4530398 0.77 EGLN1 (0.50) EGLN1PTGER4CCR1
SCHEMBL3428275 0.76 EGLN1 (0.67) EGLN1PTGER4PPARAKLKB1MERTK
SCHEMBL14812170 0.75 EGLN1 (0.40) EGLN1MERTKKDM4E

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 10 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
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
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
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 5/4885PTGER4 1297/4885JAK3 1276/4885

“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.