SCHEMBL3518567

SCHEMBL3518567

COc1ccc(-c2ccnc(Nc3cccc(S(=O)(=O)NCCCN(C)C)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.58
PIK3CA P42336 5/20 0.58
PIK3CB P42338 4/20 0.58
IKBKB O14920 7/20 0.57
CDK5 Q00535 3/20 0.56
CDC7 O00311 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
CDK1 P06493 3/20 0.47
MTOR P42345 3/20 0.47
SMG1 Q96Q15 3/20 0.47
CDK2 P24941 2/20 0.47
AURKA O14965 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL3516460 0.95 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3518170 0.89 IKBKB (0.59) PIK3CGPIK3CAIKBKBCDC7CDK19
SCHEMBL3517971 0.88 IKBKB (0.53) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3516351 0.84 IKBKB (0.53) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3518027 0.84 IKBKB (0.53) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3522392 0.83 IKBKB (0.70) PIK3CGPIK3CAPIK3CBIKBKBCDK1
SCHEMBL3516443 0.82 CNR2 (0.51) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3519883 0.82 IKBKB (0.52) PIK3CGPIK3CAPIK3CBIKBKBCDK5
SCHEMBL3517070 0.81 IKBKB (0.59) PIK3CGPIK3CAPIK3CBIKBKBCDK2
SCHEMBL12801659 0.79 MTOR (0.58) PIK3CGPIK3CAPIK3CBIKBKBCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 PIK3CG 1967/4885PIK3CA 506/4885PIK3CB 1605/4885

“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.