SCHEMBL4264882

SCHEMBL4264882

Nc1nc(N)c2c(-c3ccc(S(N)(=O)=O)cc3)nn(-c3ccc(S(N)(=O)=O)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
SRC P12931 2/20 0.48
PIK3CD O00329 1/20 0.48
ABL1 P00519 1/20 0.48
HCK P08631 1/20 0.48
KDR P35968 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
EPHB4 P54760 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA12 O43570 7/20 0.43
CA9 Q16790 7/20 0.43
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
ADORA3 P0DMS8 1/20 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
SCHEMBL4271805 0.81 IKBKB (0.41) EGFRSRCABL1CA1CA2
SCHEMBL4269315 0.80 SRC (0.52) EGFRSRCPIK3CDABL1HCK
SCHEMBL4267729 0.68 KDR (0.53) EGFRSRCPIK3CDABL1HCK
SCHEMBL8113795 0.68 PTGS2 (0.61) CA1CA2CA12CA9PTGS2
SCHEMBL2951939 0.67 SRC (0.57) EGFRSRCPIK3CGADORA3ADORA2A
SCHEMBL8111966 0.66 PTGS2 (0.70) CA1CA2CA12CA9PTGS2
SCHEMBL2435077 0.65 SRC (1.00) EGFRSRCPIK3CDABL1HCK
SCHEMBL5218014 0.64 KDM4E (0.62) CA1CA2CA12CA9CYP2D6
SCHEMBL8121134 0.64 PTGS2 (0.65) CA1CA2CA12CA9PTGS2
SCHEMBL8120930 0.64 PTGS2 (0.63) CA1CA2CA9PTGS2PTGS1

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-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US claimed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US claimed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 WO claimed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK EGFR 1356/4885SRC 699/4885PIK3CD 96/4885

“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.