Pyrimidine

Pyrimidine

SCHEMBL628523

COc1ccccc1Oc1c(Cl)ncnc1Cl.c1cncnc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.45
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIN1 Q13526 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1748457 0.92 DHPS (0.50) DHPSNFE2L2ALDH1A1MAPK1HTT
SCHEMBL7297617 0.81 DHPS (0.58) DHPSNFE2L2ALDH1A1MAPK1HTT
SCHEMBL1748489 0.76 L3MBTL1 (0.46) ALDH1A1MAPK1HTTL3MBTL1MEN1
SCHEMBL618135 0.75 DHPS (0.58) DHPS
SCHEMBL7303200 0.75 NPBWR1 (0.48) DHPSNFE2L2ALDH1A1MEN1KMT2A
SCHEMBL29770374 0.75 DHPS (0.58) DHPS
SCHEMBL7298131 0.75 TRPA1 (0.45) DHPSNFE2L2ALDH1A1MAPK1MEN1
SCHEMBL1748336 0.75 SMN1; SMN2 (0.48) NFE2L2ALDH1A1MAPK1HTTMEN1
SCHEMBL7204802 0.75 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5632471 0.75 DHPS (0.57) DHPSALDH1A1MAPK1HTTL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP disclosed
US-8080549-B2 Endothelin receptor antagonists CONCERT PHARMACEUTICALS, INC. (US) 2011-12-20 US disclosed
US-8071596-B2 Endothelin receptor antagonists CONCERT PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO disclosed
US-20100063076-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2010-03-11 US disclosed
US-20090005394-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-01-01 US disclosed
WO-2008088727-A2 ENDOTHELIN RECEPTOR ANTAGONISTS CONCERT PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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 (2 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-20100063076-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 2603/4885NFE2L2 846/4885ALDH1A1 3474/4885
US-20090005394-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 3146/4885NFE2L2 1042/4885ALDH1A1 3953/4885

“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.