SCHEMBL4536138

SCHEMBL4536138

O=C(NCc1ccc(F)cc1)c1cnc(-c2ccc(C(F)(F)F)cn2)nc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
KDM1A O60341 1/20 0.52
HDAC1 Q13547 1/20 0.52
VNN1 O95497 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAMBP O95630 2/20 0.44
PSMD14 O00487 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL3404072 0.85 GLA (0.54) GLACYP1A2CYP2C19STAMBPKMT2A
SCHEMBL13691539 0.82 GLA (0.52) GLAKDM1AHDAC1L3MBTL1CYP1A2
SCHEMBL3407303 0.82 GLA (0.76) GLAL3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL3410731 0.81 KDM1A (0.52) GLAKDM1AHDAC1STAMBPPSMD14
SCHEMBL3411400 0.81 HDAC1 (0.53) GLAKDM1AHDAC1CNR2STAMBP
SCHEMBL4528786 0.80 GLA (0.58) GLAL3MBTL1KMT2AGAANPSR1
SCHEMBL3433840 0.79 GLA (0.59) GLAL3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL16005737 0.79 HDAC1 (0.50) GLAKDM1AHDAC1STAMBPPSMD14
SCHEMBL3430748 0.79 HDAC1 (0.52) GLAKDM1AHDAC1STAMBPPSMD14
SCHEMBL16495492 0.75 HPGDS (0.60) KDM1AHDAC1VNN1L3MBTL1STAMBP

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

“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.