SCHEMBL5373756

SCHEMBL5373756

CSc1ccc(-c2cc(C(F)(F)F)nc(SC)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
TP53 P04637 2/20 0.34
SYK P43405 2/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MAPK1 P28482 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
ADRB2 P07550 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4718764 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL76562 0.78 GAA (0.50) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2900606 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL1145317 0.72 TRPV4 (0.52) KDM4ESYKHSD17B10CYP2C9
SCHEMBL19806054 0.72 KDM4E (0.60) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19805930 0.72 SDHB (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL19805755 0.71 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL29976028 0.71 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL20985669 0.71 KDM4E (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL28307445 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HPGD

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
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235560-B2 Pyrimidine derivative as selective COX-2 inhibitors GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
EP-1546128-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2006-05-03 EP disclosed
US-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1546128-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-29 EP disclosed
WO-2004018452-A1 PYRIMIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-04 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-20060040967-A1 Pyrimidine derivative as selelctive cox-2 inhibitors PTGES2, PTGS2, DPYD MEN1 4299/4885KMT2A 3236/4885ALDH1A1 422/4885

“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.