Pyrimidine

Pyrimidine

SCHEMBL5649751

CS(=O)(=O)c1nccc(-c2ccc(C(F)(F)F)cc2)n1.c1cncnc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.44
SDHB P21912 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 4/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.44
STAT3 P40763 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 3/20 0.44
STAT1 P42224 2/20 0.44
TLR9 Q9NR96 2/20 0.44
POLB P06746 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43

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
SCHEMBL18963 0.92 NPSR1 (0.49) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL17590 0.79 KMO (0.59) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL28146826 0.79 NPC1 (0.45) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL2410945 0.76 RAB9A (0.56) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL16538788 0.76 KCNH2 (0.53) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL4447801 0.76 BPTF (0.54) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL3572760 0.75 HSP90AA1 (0.57) RAB9ALMNAPOLBALDH1A1PTGS2
SCHEMBL2415488 0.75 KDM4E (0.49) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL5593337 0.74 SDHB (0.72) NPSR1SDHBRAB9ATP53HPGD
SCHEMBL4071288 0.73 KMO (0.51) LMNAKMT2AHTTMEN1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349856-C Propionic acid derivatives and their use as hPPAR activators SMITHKLINE BEECHAM CORP (US) 2007-11-21 CN disclosed
US-7199239-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-04-03 US disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
CN-1675168-A Propionic acid derivatives and their use as hPPARs activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 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 (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-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 NPSR1 1174/4885SDHB 2120/4885RAB9A 2573/4885

“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.