SCHEMBL5781821

SCHEMBL5781821

COc1cccc(Nc2nccc(-c3sc(N)nc3-c3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.60
PIK3CA P42336 4/20 0.60
PIK3CB P42338 4/20 0.60
CDK5 Q00535 4/20 0.55
KDR P35968 3/20 0.55
CDK1 P06493 3/20 0.55
CDK2 P24941 3/20 0.55
GSK3B P49841 3/20 0.55
FLT1 P17948 2/20 0.55
FLT4 P35916 2/20 0.55
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
MAPK1 P28482 2/20 0.55
DYRK1A Q13627 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
MAPK13 O15264 1/20 0.55
DAPK3 O43293 1/20 0.55

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
SCHEMBL5782345 0.92 PIK3CG (0.70) PIK3CGPIK3CAPIK3CBCDK5KDR
SCHEMBL5782310 0.87 CCNT1 (0.50) PIK3CGPIK3CAPIK3CBCDK5CDK1
SCHEMBL5780635 0.86 KCNH2 (0.57) CDK5CDK1CDK2GSK3BAURKA
SCHEMBL2285781 0.85 CDK2 (0.67) PIK3CGPIK3CAPIK3CBCDK5KDR
SCHEMBL5782012 0.85 ABL1 (0.63) PIK3CGCDK5CDK1CDK2GSK3B
SCHEMBL5779741 0.85 CCNT1 (0.53) PIK3CGCDK5CDK1CDK2GSK3B
SCHEMBL5780393 0.85 CAMK2D (0.62) CDK5KDRCDK1CDK2GSK3B
SCHEMBL5781152 0.85 CDK4 (0.59) PIK3CGPIK3CACDK5CDK1CDK2
SCHEMBL5781584 0.82 CCNT1 (0.54) PIK3CGCDK5CDK1CDK2GSK3B
SCHEMBL5779921 0.82 CCNT1 (0.51) PIK3CGCDK5CDK1CDK2GSK3B

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.