SCHEMBL1447527

SCHEMBL1447527

Cc1ncc(-c2nc(Nc3ccc(C(=O)O)cc3)ncc2F)n1C(C)C.[LiH]

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.81
KCNH2 Q12809 8/20 0.81
CDK1 P06493 7/20 0.72

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
SCHEMBL27382932 0.99 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL30828143 0.99 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL3937054 0.90 CDK2 (0.79) CDK2KCNH2CDK1
SCHEMBL13522737 0.90 CDK2 (0.85) CDK2KCNH2CDK1
SCHEMBL4516013 0.90 KCNH2 (1.00) CDK2KCNH2CDK1
SCHEMBL4524256 0.90 CDK2 (1.00) CDK2KCNH2CDK1
Hydrochloric Acid SCHEMBL1156127 0.89 CDK2 (0.77) CDK2KCNH2CDK1
Lithium Ion SCHEMBL1447528 0.89 CDK2 (0.80) CDK2KCNH2CDK1
SCHEMBL12861898 0.87 CDK2 (0.77) CDK2KCNH2CDK1
SCHEMBL2924704 0.87 KCNH2 (0.82) CDK2KCNH2CDK1

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-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
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 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
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 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 (3 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CDK2 4/4885KCNH2 3837/4885CDK1 6/4885
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.