SCHEMBL3409505

SCHEMBL3409505

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.49
EPHX2 P34913 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 2/20 0.44
SCN3A Q9NY46 1/20 0.43
ADRB2 P07550 1/20 0.43
KDM1A O60341 3/20 0.43
HDAC1 Q13547 3/20 0.43
PPARG P37231 2/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HTR2C P28335 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL3430748 0.88 HDAC1 (0.52) PPARASCN3AKDM1AHDAC1GLA
SCHEMBL3409247 0.83 RXFP1 (0.46) EPHX2NR1H4ALDH1A1KDM4EKDM1A
SCHEMBL3407116 0.77 PRMT6 (0.48)
SCHEMBL3407024 0.77 HIF1A (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4531459 0.74 EPHX2 (0.47) EPHX2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3427094 0.73 PDE2A (0.51) PDE2AEPHX2NR1H4ALDH1A1HPGD
SCHEMBL4531701 0.73 EGLN1 (0.46) ALDH1A1KDM4EEGLN1SMN1; SMN2
SCHEMBL3406031 0.73 KDM4E (0.53) ALDH1A1HPGDKDM4EHSD17B10EGLN1
SCHEMBL3428275 0.71 EGLN1 (0.67) PDE2AEPHX2NR1H4EGLN1PPARA
SCHEMBL3433775 0.69 EGLN1 (0.66) KDM4EEGLN1HDAC1SMN1; 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 14 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
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 PDE2A 1299/4885EPHX2 1261/4885NR1H4 1328/4885

“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.