SCHEMBL3430748

SCHEMBL3430748

Cc1nc(-c2ncc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(O)n2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.52
KDM1A O60341 4/20 0.52
GLA P06280 1/20 0.46
LSS P48449 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
CHRM4 P08173 1/20 0.42
SCN3A Q9NY46 1/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
SORT1 Q99523 1/20 0.41

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
SCHEMBL3409505 0.88 PDE2A (0.49) HDAC1KDM1AGLASCN3APPARA
SCHEMBL3409247 0.85 RXFP1 (0.46) HDAC1KDM1AGLAADORA3ADORA2A
SCHEMBL3406031 0.85 KDM4E (0.53) LMNATP53
SCHEMBL3410731 0.81 KDM1A (0.52) HDAC1KDM1AGLALSSADORA3
SCHEMBL16005737 0.80 HDAC1 (0.50) HDAC1KDM1AGLALSSADORA3
SCHEMBL3411400 0.80 HDAC1 (0.53) HDAC1KDM1AGLALSSADORA3
SCHEMBL3407116 0.80 PRMT6 (0.48) CHRM4LMNAKLKB1KLK1
SCHEMBL3407024 0.79 HIF1A (0.46) LMNATP53
SCHEMBL4536138 0.79 GLA (0.60) HDAC1KDM1AGLAPSMD14STAMBP
SCHEMBL4531459 0.76 EPHX2 (0.47) HDAC1HDAC6LMNA

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 HDAC1 336/4885KDM1A 103/4885GLA 3785/4885

“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.