SCHEMBL3404941

SCHEMBL3404941

O=C(NC(Cc1ccccc1)c1ccccc1)c1cnc(-n2cccn2)nc1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.48
EGLN1 Q9GZT9 8/20 0.48
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KCNH2 Q12809 1/20 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
SCHEMBL4534009 0.90 EGLN1 (0.50) CAPN1EGLN1TACR3KCNH2
SCHEMBL3431957 0.90 EGLN1 (0.50) CAPN1EGLN1TACR3KCNH2
SCHEMBL3410929 0.89 EGLN1 (0.50) EGLN1TACR3ALDH1A1
SCHEMBL3435598 0.89 EGLN1 (0.50) EGLN1TACR3ALDH1A1
SCHEMBL16005564 0.85 TACR3 (0.48) CAPN1EGLN1TACR3ALDH1A1KCNH2
SCHEMBL3408847 0.85 EGLN1 (0.62) CAPN1EGLN1TACR3KCNH2
SCHEMBL3435155 0.83 EGLN1 (0.63) EGLN1ALDH1A1SMN1; SMN2
SCHEMBL3430124 0.83 EGLN1 (0.49) CAPN1EGLN1TACR3ALDH1A1KCNH2
SCHEMBL4535795 0.83 EGLN1 (0.63) EGLN1ALDH1A1SMN1; SMN2
SCHEMBL3405250 0.83 EGLN1 (0.63) EGLN1ALDH1A1SMN1; SMN2

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
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
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 CAPN1 1678/4885EGLN1 5/4885TACR3 4802/4885

“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.