SCHEMBL4535794

SCHEMBL4535794

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
EGLN1 Q9GZT9 3/20 0.42
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TACR3 P29371 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL4520187 0.88 ALDH1A1 (0.49) NFKB1NFKB2RELAKDM4ETACR3
SCHEMBL4527992 0.88 ALDH1A1 (0.49) NFKB1NFKB2RELAKDM4ETACR3
SCHEMBL16005739 0.88 ALDH1A1 (0.49) NFKB1NFKB2RELAKDM4ETACR3
SCHEMBL13691433 0.86 NFKB1 (0.41) HPGDSNFKB1NFKB2RELAEGLN1
SCHEMBL14809910 0.80 LMNA (0.44) HPGDSEGLN1KDM4ETACR3ALDH1A1
SCHEMBL3433775 0.80 EGLN1 (0.66) NFKB1NFKB2RELAEGLN1KDM4E
SCHEMBL3406643 0.79 EGLN1 (0.63) HPGDSEGLN1HTTTACR3SMN1; SMN2
SCHEMBL3409247 0.77 RXFP1 (0.46) HPGDSNFKB1NFKB2RELAKDM4E
SCHEMBL4531701 0.77 EGLN1 (0.46) NFKB1NFKB2RELAEGLN1KDM4E
SCHEMBL3407116 0.76 PRMT6 (0.48) HPGDSRAB9ATACR3NPC1RXFP1

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 HPGDS 65/4885NFKB1 1245/4885NFKB2 2469/4885

“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.