SCHEMBL5779291

SCHEMBL5779291

Nc1nc(-c2ccccc2)c(-c2ccnc(Nc3ccc(F)cc3)n2)s1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.68
EGFR P00533 1/20 0.57
CDK2 P24941 4/20 0.55
CDK4 P11802 3/20 0.53
TGFBR1 P36897 1/20 0.53
PLK1 P53350 1/20 0.53
EIF2AK2 P19525 1/20 0.52
CCNE1 P24864 1/20 0.51
SYK P43405 1/20 0.49
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
IKBKB O14920 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
SCHEMBL5779561 0.95 KCNH2 (0.68) KCNH2EGFRCDK2CDK4TGFBR1
SCHEMBL5780635 0.92 KCNH2 (0.57) KCNH2EGFRCDK2CDK4PLK1
SCHEMBL5781152 0.88 CDK4 (0.59) KCNH2EGFRCDK2CDK4TGFBR1
SCHEMBL6624925 0.83 GSK3B (0.54) KCNH2CDK2CDK4GSK3B
SCHEMBL5782345 0.81 PIK3CG (0.70) KCNH2EGFRCDK2CDK4TGFBR1
SCHEMBL5779741 0.81 CCNT1 (0.53) KCNH2EGFRCDK2CDK4PLK1
SCHEMBL5780393 0.81 CAMK2D (0.62) KCNH2CDK2CDK4TGFBR1PLK1
SCHEMBL2076190 0.81 CDK2 (0.78) KCNH2EGFRCDK2CDK4TGFBR1
SCHEMBL5781821 0.81 PIK3CG (0.60) EGFRCDK2CDK4CCNE1SYK
SCHEMBL5779236 0.81 KCNH2 (0.59) KCNH2EGFRCDK2CDK4TGFBR1

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 KCNH2 239/4885EGFR 2883/4885CDK2 1542/4885

“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.