SCHEMBL5779561

SCHEMBL5779561

Nc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)n2)s1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.68
EGFR P00533 1/20 0.57
TGFBR1 P36897 1/20 0.56
GSK3B P49841 2/20 0.53
CDK2 P24941 3/20 0.52
CDK4 P11802 2/20 0.51
MAPK14 Q16539 2/20 0.50
PLK1 P53350 1/20 0.50
IKBKB O14920 1/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL5779291 0.95 KCNH2 (0.68) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL5780635 0.92 KCNH2 (0.57) KCNH2EGFRGSK3BCDK2CDK4
SCHEMBL5781152 0.88 CDK4 (0.59) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL6624925 0.87 GSK3B (0.54) KCNH2GSK3BCDK2CDK4MAPK14
SCHEMBL5782345 0.86 PIK3CG (0.70) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL5779236 0.85 KCNH2 (0.59) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL6609023 0.83 EGFR (0.55) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL5781477 0.83 EGFR (0.57) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL5780601 0.83 EGFR (0.55) KCNH2EGFRTGFBR1GSK3BCDK2
SCHEMBL5781915 0.83 EGFR (0.55) KCNH2EGFRTGFBR1GSK3BCDK2

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 8 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

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 2883/4885TGFBR1 1037/4885

“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.