SCHEMBL3411065

SCHEMBL3411065

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(-n2cccn2)nc1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
EGLN1 Q9GZT9 3/20 0.44
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
MERTK Q12866 1/20 0.41
CCR1 P32246 3/20 0.41
MAOB P27338 1/20 0.40
MLYCD O95822 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.90 EGLN1 (0.53) EGLN1MERTKKDM4EHTTSMN1; SMN2
SCHEMBL4540082 0.84 MERTK (0.48) EGLN1MERTK
SCHEMBL4535358 0.84 EGLN1 (0.43) EGLN1MERTK
SCHEMBL4535456 0.84 EGLN1 (0.42) EGLN1MERTKCCR1KDM4E
SCHEMBL3428275 0.82 EGLN1 (0.67) EGLN1MERTK
SCHEMBL3404652 0.81 EGLN1 (0.56) EGLN1MERTKKDM4EHTTSMN1; SMN2
SCHEMBL3407244 0.81 EGLN1 (0.51) EGLN1MERTKKDM4EHTTSMN1; SMN2
SCHEMBL3430237 0.81 EGLN1 (0.51) EGLN1MERTKKDM4ESMN1; SMN2
SCHEMBL3409246 0.81 EGLN1 (0.64) EGLN1MERTKKDM4EHTTSMN1; SMN2
SCHEMBL16005776 0.81 EGLN1 (0.52) EGLN1MERTK

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-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
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 TACR1 4308/4885EGLN1 5/4885P2RX1 1614/4885

“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.