SCHEMBL1447707

SCHEMBL1447707

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCCN(C(C)C)CC4)cc3)n2)n1C(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.81
CDK1 P06493 8/20 0.81
KCNH2 Q12809 5/20 0.67
CCNT1 O60563 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CCNA2 P20248 1/20 0.58
CCND1 P24385 1/20 0.58
CCNE1 P24864 1/20 0.58
CCND3 P30281 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK7 P50613 1/20 0.58
CDK9 P50750 1/20 0.58
CCNH P51946 1/20 0.58

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
SCHEMBL1448451 0.96 CDK2 (0.86) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447698 0.91 CDK2 (0.93) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1448230 0.89 CDK2 (1.00) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1448597 0.88 CDK2 (0.66) CDK2CDK1KCNH2
SCHEMBL1447207 0.88 CDK2 (0.68) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL1447718 0.87 CDK2 (0.77) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447731 0.87 CDK2 (0.82) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447392 0.87 CDK2 (0.82) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447874 0.86 CDK2 (0.81) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447954 0.86 CDK2 (0.80) CDK2CDK1KCNH2CCNT1CDK4

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
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP claimed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US claimed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO claimed
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 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-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CDK2 13/4885CDK1 35/4885KCNH2 4262/4885

“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.