SCHEMBL4879656

SCHEMBL4879656

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
KIT P10721 4/20 0.44
F2 P00734 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR6 P50406 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
BRAF P15056 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 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
SCHEMBL4875782 0.90 CA12 (0.48) ALDH1A1ESR1KITCA1CA2
SCHEMBL4875769 0.90 HTR6 (0.53) GAAALDH1A1CA1CA2MEN1
SCHEMBL4878331 0.86 KIT (0.46) L3MBTL1KITCA1CA2BRAF
SCHEMBL4876133 0.83 BRAF (0.46) ALDH1A1KITMEN1KMT2ABRAF
SCHEMBL4879404 0.83 TSHR (0.52) GAAALDH1A1CA1CA2KMT2A
SCHEMBL4880842 0.81 GAA (0.52) GAAALDH1A1CA1CA2FFAR4
SCHEMBL4878313 0.79 SLC22A12 (0.46) MEN1KMT2A
SCHEMBL4876037 0.78 SLC22A12 (0.62)
SCHEMBL4878244 0.78 SGK1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL4875699 0.77 ALDH1A1 (0.49) ALDH1A1KITMEN1KMT2A

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
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
CN-101151261-A Pyrimidine compounds having tie2 (TEK) inhibitory activity ASTRAZENECA AB (SE) 2008-03-26 CN 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 L3MBTL1 2524/4885GAA 2230/4885GPR119 401/4885

“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.