SCHEMBL5733802

SCHEMBL5733802

CCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.80
CDK1 P06493 6/20 0.77
CDK2 P24941 5/20 0.77
SMG1 Q96Q15 3/20 0.77
CDK4 P11802 3/20 0.77
MAPT P10636 2/20 0.77
CCNB1 P14635 2/20 0.77
CCNA2 P20248 2/20 0.77
CCND1 P24385 2/20 0.77
CDK7 P50613 2/20 0.77
CCNH P51946 2/20 0.77
CDK5 Q00535 2/20 0.77
CDK5R1 Q15078 2/20 0.77
MTOR P42345 2/20 0.77
NPC1 O15118 1/20 0.77
CCNT1 O60563 1/20 0.77
XBP1 P17861 1/20 0.77
CCNE1 P24864 1/20 0.77
MAPK1 P28482 1/20 0.77
HTT P42858 1/20 0.77

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
SCHEMBL6107401 0.94 CDK1 (0.81) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL6107344 0.91 CSNK2A1 (0.77) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL6107651 0.89 CSNK2A1 (1.00) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL6094407 0.89 CDK1 (0.88) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL29385808 0.87 CDK1 (1.00) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL30782585 0.87 CDK1 (1.00) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL1574530 0.87 CDK1 (1.00) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL7813303 0.87 CDK1 (0.96) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL29397852 0.87 CDK1 (1.00) CSNK2A1CDK1CDK2SMG1CDK4
SCHEMBL7804352 0.86 CDK1 (0.94) CSNK2A1CDK1CDK2SMG1CDK4

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
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP claimed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US claimed
EP-0672042-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009851-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
US-7109197-B2 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 US disclosed
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP disclosed
EP-1292190-B1 N-PHENYL-4-(4-PYRIDYL)-2-PYRIMIDINEAMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-24 EP disclosed
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-25 US disclosed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 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-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 CSNK2A1 3430/4885CDK1 2196/4885CDK2 1085/4885

“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.