SCHEMBL4540082

SCHEMBL4540082

O=C(NCc1ccc(C(F)(F)F)nc1)c1cnc(-n2cccn2)nc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.48
EGLN1 Q9GZT9 3/20 0.47
NAMPT P43490 2/20 0.43
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
GAS6 Q14393 1/20 0.41
GLA P06280 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
ITK Q08881 2/20 0.38

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 0.88 EGLN1 (0.53) MERTKEGLN1GLATRPV1ADORA2A
SCHEMBL3405965 0.85 EGLN1 (0.52) MERTKEGLN1NAMPTFLT3TYRO3
SCHEMBL3411065 0.84 TACR1 (0.48) MERTKEGLN1
SCHEMBL3428275 0.84 EGLN1 (0.67) MERTKEGLN1GLATRPV1
SCHEMBL3404652 0.83 EGLN1 (0.56) MERTKEGLN1GLA
SCHEMBL4527932 0.83 EGLN1 (0.47) MERTKEGLN1FLT3TYRO3GAS6
SCHEMBL3407244 0.83 EGLN1 (0.51) MERTKEGLN1NAMPTFLT3TYRO3
SCHEMBL3430237 0.83 EGLN1 (0.51) MERTKEGLN1FLT3TYRO3GAS6
SCHEMBL3409246 0.83 EGLN1 (0.64) MERTKEGLN1
SCHEMBL16005776 0.83 EGLN1 (0.52) MERTKEGLN1FLT3TYRO3GAS6

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 MERTK 1997/4885EGLN1 5/4885NAMPT 449/4885

“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.