SCHEMBL4875782

SCHEMBL4875782

Nc1ncnc(N)c1C#Cc1cccc(NS(=O)(=O)c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
BRAF P15056 1/20 0.46
KIT P10721 3/20 0.46
KMT2A Q03164 1/20 0.44
PIK3CA P42336 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
HSPE1 P61604 1/20 0.43
PGR P06401 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL4879656 0.90 L3MBTL1 (0.47) CA1CA2BRAFKITKMT2A
SCHEMBL4875769 0.89 HTR6 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL4879404 0.86 TSHR (0.52) CA12CA1CA2CA9BRAF
SCHEMBL4878331 0.85 KIT (0.46) CA12CA1CA2CA9BRAF
SCHEMBL4880842 0.84 GAA (0.52) CA12CA1CA2CA9PIK3CA
SCHEMBL4876133 0.82 BRAF (0.46) BRAFKITKMT2APIK3CAALDH1A1
SCHEMBL4878313 0.78 SLC22A12 (0.46) KMT2APIK3CAPTPN1PTPN5PTPN2
SCHEMBL4876037 0.78 SLC22A12 (0.62) PIK3CAPTPN1PTPN5PTPN2
SCHEMBL4878244 0.77 SGK1 (0.46) KMT2AALDH1A1PGR
SCHEMBL4875699 0.76 ALDH1A1 (0.49) KITKMT2APIK3CAALDH1A1PTPN1

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 CA12 3330/4885CA1 3411/4885CA2 989/4885

“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.