SCHEMBL5630909

SCHEMBL5630909

CCOc1c(C)c(C)nn1-c1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.56
SMG1 Q96Q15 4/20 0.56
CDK1 P06493 3/20 0.56
MAPT P10636 2/20 0.55
CAMK2D Q13557 6/20 0.52
CDK4 P11802 2/20 0.52
MTOR P42345 2/20 0.52
NPC1 O15118 1/20 0.52
CCNT1 O60563 1/20 0.52
CCNB1 P14635 1/20 0.52
XBP1 P17861 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
RAB9A P51151 1/20 0.52
CCNH P51946 1/20 0.52

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
SCHEMBL5632384 0.92 CDK2 (0.57) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5630109 0.88 CDK2 (0.61) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5630851 0.82 CDK2 (0.53) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5629094 0.81 CDK2 (0.58) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5629944 0.79 CDK2 (0.53) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5632607 0.79 CDK2 (0.57) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5632398 0.79 CDK2 (0.59) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5629098 0.77 SMG1 (0.54) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL5628934 0.76 CDK2 (0.55) CDK2SMG1CDK1MAPTCAMK2D
SCHEMBL2328157 0.76 CAMK2D (0.70) CDK2SMG1CDK1MAPTCAMK2D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471786-B1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL|-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-12-27 EP claimed
US-20050085496-A1 Microbiocidal n-phenyl-n-{4-(4-pyridyl)-2-pyrimidin-2-yl}-amine derivatives SYNGENTA CROP PROTECTION, INC. 2005-04-21 US claimed
EP-1471786-A1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES Syngenta Participations AG (CH) 2004-11-03 EP claimed
WO-2003047347-A1 MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 WO claimed
US-7205301-B2 Microbiocidal N-phenyl-n-[4-(4-pyridyl)-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-04-17 US disclosed
EP-1471786-B1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL|-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-12-27 EP disclosed
US-20050085496-A1 Microbiocidal n-phenyl-n-{4-(4-pyridyl)-2-pyrimidin-2-yl}-amine derivatives SYNGENTA CROP PROTECTION, INC. 2005-04-21 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-20050085496-A1 Microbiocidal n-phenyl-n-{4-(4-pyridyl)-2-pyrimidin-2-yl}-amine derivatives MSR1, SIGMAR1, CYP2A13 CDK2 4068/4885SMG1 3758/4885CDK1 3653/4885

“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.