SCHEMBL5779236

SCHEMBL5779236

N#Cc1cccc(Nc2nccc(-c3sc(N)nc3-c3ccc(F)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
CDK4 P11802 4/20 0.58
CDK2 P24941 4/20 0.58
EGFR P00533 1/20 0.55
CDC7 O00311 1/20 0.53
ACHE P22303 1/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
TGFBR1 P36897 1/20 0.48
SYK P43405 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
SMG1 Q96Q15 1/20 0.47
GSK3B P49841 2/20 0.46
DYRK1A Q13627 1/20 0.46
AURKA O14965 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL5781346 0.91 CDK4 (0.61) KCNH2CDK4CDK2EGFRSYK
SCHEMBL5782361 0.86 EGFR (0.55) KCNH2CDK4CDK2EGFRACHE
SCHEMBL5779561 0.85 KCNH2 (0.68) KCNH2CDK4CDK2EGFRACHE
SCHEMBL5782345 0.84 PIK3CG (0.70) KCNH2CDK4CDK2EGFRCDC7
SCHEMBL5781152 0.82 CDK4 (0.59) KCNH2CDK4CDK2EGFRPIK3CA
SCHEMBL5781477 0.81 EGFR (0.57) KCNH2CDK4CDK2EGFRACHE
SCHEMBL6609023 0.81 EGFR (0.55) KCNH2CDK4CDK2EGFRACHE
SCHEMBL5781915 0.81 EGFR (0.55) KCNH2CDK4CDK2EGFRACHE
SCHEMBL5780601 0.81 EGFR (0.55) KCNH2CDK4CDK2EGFRACHE
SCHEMBL5779291 0.81 KCNH2 (0.68) KCNH2CDK4CDK2EGFRTGFBR1

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 239/4885CDK4 1021/4885CDK2 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.