SCHEMBL3433775

SCHEMBL3433775

Cc1nc(-c2ncc(C(=O)NC(C)(C)c3ccccc3)c(O)n2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.66
TACR3 P29371 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 3/20 0.39
STAT1 P42224 2/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 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
SCHEMBL4531701 0.85 EGLN1 (0.46) EGLN1NFKB1NFKB2RELARAB9A
SCHEMBL3405496 0.84 EGLN1 (0.63) EGLN1TACR3ROCK2ROCK1HDAC3
SCHEMBL3408179 0.82 EGLN1 (0.61) EGLN1TACR3MEN1KMT2A
SCHEMBL13691432 0.81 EGLN1 (0.52) EGLN1TACR3RAB9AHTTNPC1
SCHEMBL3409730 0.81 EGLN1 (0.61) EGLN1TACR3HDAC3HDAC1HDAC2
SCHEMBL3410582 0.81 EGLN1 (0.64) EGLN1TACR3KDM4EHDAC3HDAC1
SCHEMBL3411246 0.81 EGLN1 (0.51) EGLN1TACR3ROCK2MEN1KMT2A
SCHEMBL3408125 0.80 EGLN1 (0.63) EGLN1TACR3HDAC3HDAC1HDAC2
SCHEMBL4535794 0.80 HPGDS (0.45) EGLN1TACR3NFKB1NFKB2RELA
SCHEMBL3404114 0.79 EGLN1 (0.66) EGLN1TACR3KDM4EKDM4AKDM4B

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 EGLN1 5/4885TACR3 4802/4885NFKB1 1245/4885

“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.