SCHEMBL4531799

SCHEMBL4531799

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.51
ALDH1A1 P00352 3/20 0.46
TACR3 P29371 1/20 0.43
HDAC1 Q13547 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
CAPN1 P07384 1/20 0.37
PDE2A O00408 1/20 0.36

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
SCHEMBL3427863 0.90 EGLN1 (0.48) EGLN1ALDH1A1MAPK1KCNH2CAPN1
SCHEMBL3407454 0.90 EGLN1 (0.48) EGLN1ALDH1A1MAPK1KCNH2CAPN1
SCHEMBL3427861 0.90 EGLN1 (0.48) EGLN1ALDH1A1MAPK1KCNH2CAPN1
SCHEMBL4535795 0.89 EGLN1 (0.63) EGLN1ALDH1A1MAPK1PDE2A
SCHEMBL3435155 0.89 EGLN1 (0.63) EGLN1ALDH1A1MAPK1PDE2A
SCHEMBL3405250 0.89 EGLN1 (0.63) EGLN1ALDH1A1MAPK1PDE2A
SCHEMBL3408847 0.87 EGLN1 (0.62) EGLN1TACR3MAPK1KCNH2CAPN1
SCHEMBL3430124 0.85 EGLN1 (0.49) EGLN1ALDH1A1TACR3HDAC1MAPK1
SCHEMBL3435598 0.84 EGLN1 (0.50) EGLN1ALDH1A1TACR3PDE2A
SCHEMBL3410929 0.84 EGLN1 (0.50) EGLN1ALDH1A1TACR3PDE2A

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
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
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 5/4885ALDH1A1 357/4885TACR3 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.