SCHEMBL5782345

SCHEMBL5782345

COc1cccc(Nc2nccc(-c3sc(N)nc3-c3ccc(F)cc3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.70
PIK3CA P42336 4/20 0.70
PIK3CB P42338 4/20 0.61
EGFR P00533 3/20 0.60
KCNH2 Q12809 3/20 0.57
CDK5 Q00535 3/20 0.55
CDK2 P24941 3/20 0.54
AURKA O14965 2/20 0.54
CDK1 P06493 2/20 0.54
GSK3B P49841 2/20 0.54
AURKB Q96GD4 2/20 0.54
SYK P43405 2/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
MAPK13 O15264 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54
JAK2 O60674 1/20 0.54

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
SCHEMBL5781821 0.92 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBEGFRCDK5
SCHEMBL5779561 0.86 KCNH2 (0.68) EGFRKCNH2CDK2GSK3BIKBKB
SCHEMBL5781915 0.84 EGFR (0.55) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL5780601 0.84 EGFR (0.55) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL5781477 0.84 EGFR (0.57) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL2285781 0.84 CDK2 (0.67) PIK3CGPIK3CAPIK3CBEGFRCDK5
SCHEMBL5779236 0.84 KCNH2 (0.59) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL5781152 0.83 CDK4 (0.59) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL6609023 0.82 EGFR (0.55) PIK3CGPIK3CAEGFRKCNH2CDK5
SCHEMBL6609008 0.82 EGFR (0.55) PIK3CGPIK3CAEGFRKCNH2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105517-B2 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US claimed
EP-1434776-B1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 EP claimed
US-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. 2005-02-17 US claimed
EP-1434776-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Syngenta Participations AG (CH) 2004-07-07 EP claimed
WO-2003029249-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2003-04-10 WO claimed
US-7105517-B2 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US disclosed
EP-1434776-B1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 EP disclosed
US-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. 2005-02-17 US disclosed
EP-1434776-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Syngenta Participations AG (CH) 2004-07-07 EP disclosed
WO-2003029249-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2003-04-10 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-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents RARS2, CYP4X1, QDPR PIK3CG 2258/4885PIK3CA 1742/4885PIK3CB 2118/4885

“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.