SCHEMBL6096360

SCHEMBL6096360

CC1COC(=O)N1c1cc(-c2ccnc(Nc3cccc(F)c3)n2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 11/20 0.49
CDK2 P24941 8/20 0.49
CDK1 P06493 6/20 0.49
MTOR P42345 7/20 0.48
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45
CDK4 P11802 1/20 0.45
IDH1 O75874 2/20 0.44
CDC7 O00311 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CAMK2D Q13557 1/20 0.42
BRD4 O60885 1/20 0.42
CDK9 P50750 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL6094300 0.89 SMG1 (0.61) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6095641 0.89 SMG1 (0.61) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6095791 0.89 SMG1 (0.61) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6095910 0.89 SMG1 (0.63) SMG1CDK2CDK1MTORCDK4
SCHEMBL6093534 0.86 CDK2 (0.47) CDK2CCNA2CCNA1CDK4IDH1
SCHEMBL6093759 0.80 SMG1 (0.61) SMG1CDK2CDK1MTORCAMK2D
SCHEMBL28749716 0.80 SMG1 (0.50) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6095532 0.79 SMG1 (0.62) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6098077 0.78 SMG1 (0.58) SMG1CDK2CDK1MTORCCNA2
SCHEMBL6095217 0.78 SMG1 (0.58) SMG1CDK2CDK1MTORCCNA2

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-7074787-B2 Microbiocidal N-phenyl-N-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-07-11 US claimed
EP-1349849-B1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-09-15 EP claimed
US-20040063937-A1 Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. 2004-04-01 US claimed
EP-1349849-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2003-10-08 EP claimed
WO-2002053560-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-07-11 WO claimed
EP-1349849-B1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-09-15 EP disclosed
EP-1349849-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2003-10-08 EP disclosed
WO-2002053560-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-07-11 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-20040063937-A1 Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives CCR8, MSR1, TLR8 SMG1 1019/4885CDK2 4694/4885CDK1 4719/4885

“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.