SCHEMBL1447341

SCHEMBL1447341

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)O)cc3)n2)n1C(C)C.[LiH]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.81
KCNH2 Q12809 7/20 0.81
CDK1 P06493 5/20 0.71
CDK4 P11802 3/20 0.69
CCNT1 O60563 1/20 0.69
CCNB1 P14635 1/20 0.69
CSNK2A2 P19784 1/20 0.69
CCNA2 P20248 1/20 0.69
CCND1 P24385 1/20 0.69
CCNE1 P24864 1/20 0.69
CCND3 P30281 1/20 0.69
MAPK8 P45983 1/20 0.69
MAPK9 P45984 1/20 0.69
CSNK1A1 P48729 1/20 0.69
CSNK1D P48730 1/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
CDK7 P50613 1/20 0.69
CDK9 P50750 1/20 0.69
CCNH P51946 1/20 0.69

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
SCHEMBL278928 0.99 CDK2 (0.82) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL1447685 0.98 CDK2 (0.81) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4510605 0.89 CDK2 (1.00) CDK2KCNH2CDK1CDK4CCNT1
Lithium Ion SCHEMBL1447342 0.88 CDK2 (0.79) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4521927 0.88 CDK2 (1.00) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL1447686 0.88 CDK2 (0.79) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL274821 0.88 CDK2 (0.85) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4248529 0.88 CDK2 (0.69) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4508243 0.88 CDK2 (1.00) CDK2KCNH2CDK1CDK4CCNT1
SCHEMBL4251197 0.86 CDK2 (0.70) CDK2KCNH2CDK1CDK4CCNT1

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 disclosed
EP-2044058-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20100240686-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-23 US disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 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-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 WO 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 (2 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-20100240686-A1 CHEMICAL COMPOUNDS CCNI, CDKN1A, CCNB1 CDK2 11/4885KCNH2 2925/4885CDK1 12/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CDK2 13/4885KCNH2 4262/4885CDK1 35/4885

“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.