SCHEMBL4876461

SCHEMBL4876461

Cn1cnc(S(=O)(=O)Nc2cccc(C#Cc3c(N)ncnc3N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 1/20 0.44
PIK3CA P42336 1/20 0.44
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.42
SYK P43405 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
FBP1 P09467 1/20 0.39
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.39
GAA P10253 3/20 0.39
SLC6A9 P48067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MET P08581 1/20 0.37

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
SCHEMBL4875769 0.79 HTR6 (0.53) HTR6PIK3CAALDH1A1LMNAGAA
SCHEMBL4879656 0.76 L3MBTL1 (0.47) L3MBTL1HTR6ALDH1A1GAAMEN1
SCHEMBL4876133 0.75 BRAF (0.46) PIK3CAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4875782 0.75 CA12 (0.48) PIK3CAALDH1A1KMT2A
SCHEMBL4878313 0.75 SLC22A12 (0.46) PIK3CAMEN1KMT2A
SCHEMBL4880842 0.75 GAA (0.52) PIK3CAALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL4878244 0.74 SGK1 (0.46) ALDH1A1LMNAMEN1KMT2A
SCHEMBL4869856 0.74 ALDH1A1 (0.53) TSHRPIK3CAALDH1A1SMN1; SMN2LMNA
SCHEMBL4878331 0.74 KIT (0.46) L3MBTL1PIK3CALMNA
SCHEMBL4875699 0.74 ALDH1A1 (0.49) PIK3CAALDH1A1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1846399-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2006082371-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20080146599-A1 Pyrimidine Compounds Having Tie-2 (Tek) Inhibitory Activity TIE1, TEK, KDR TSHR 3041/4885L3MBTL1 2524/4885HTR6 866/4885

“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.