SCHEMBL6096930

SCHEMBL6096930

CC(C)C1COC(=O)N1c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.59
CDK1 P06493 1/20 0.58
CDK2 P24941 1/20 0.58
SMG1 Q96Q15 1/20 0.58
MAPT P10636 1/20 0.53
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
CAMK2D Q13557 3/20 0.49

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) CDK1CDK2SMG1MAPTABL1
SCHEMBL6095641 0.89 SMG1 (0.61) CDK1CDK2SMG1MAPTABL1
SCHEMBL6095791 0.89 SMG1 (0.61) CDK1CDK2SMG1MAPTABL1
SCHEMBL6095217 0.86 SMG1 (0.58) CDK1CDK2SMG1MAPTABL1
SCHEMBL6096456 0.85 SMG1 (0.56) CDK1CDK2SMG1MAPTABL1
SCHEMBL6098077 0.84 SMG1 (0.58) CDK1CDK2SMG1MAPTABL1
SCHEMBL6093759 0.83 SMG1 (0.61) CDK1CDK2SMG1MAPTABL1
SCHEMBL6095532 0.80 SMG1 (0.62) CDK1CDK2SMG1MAPTABL1
SCHEMBL6095496 0.80 SMG1 (0.59) CDK1CDK2SMG1MAPTABL1
SCHEMBL6096290 0.79 SMG1 (0.59) CDK1CDK2SMG1MAPTABL1

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 9 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
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
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 disclosed
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
US-20040063937-A1 Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. 2004-04-01 US 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 IDH1 3023/4885CDK1 4719/4885CDK2 4694/4885

“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.