SCHEMBL4416745

SCHEMBL4416745

N#Cc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.69
CCNA2 P20248 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.39
ABCB1 P08183 4/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK11A Q9UQ88 1/20 0.38
SYK P43405 1/20 0.38
ABCC1 P33527 2/20 0.37
SCN9A Q15858 1/20 0.37
JAK1 P23458 2/20 0.37

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
SCHEMBL4414254 0.87 CDK2 (0.77) CDK2CCNA2GSK3AGSK3BCCNT1
SCHEMBL4416712 0.86 CDK2 (0.74) CDK2CCNA2CCNT1CDK4CCND1
SCHEMBL4413597 0.84 CDK2 (0.72) CDK2GSK3AGSK3BCDK4CCND1
SCHEMBL4419524 0.82 CDK2 (1.00) CDK2CCNA2GSK3AGSK3BCCNT1
SCHEMBL4419088 0.78 CDK2 (0.74) CDK2ALDH1A1
SCHEMBL4411192 0.76 CDK2 (0.61) CDK2SMN1; SMN2CDK4CCND1JAK1
SCHEMBL6027265 0.74 CDK2 (0.73) CDK2
SCHEMBL6027091 0.72 CDK2 (0.54) CDK2CDK4CCND1
SCHEMBL4412149 0.70 CDK2 (0.81) CDK2CCNA2LMNASMN1; SMN2CDK4
SCHEMBL3839632 0.69 CDK2 (0.52) CDK2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689394-A4 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2009-06-03 EP disclosed
US-7109220-B2 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-19 US disclosed
EP-1689394-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-16 EP disclosed
WO-2005051387-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-09 WO disclosed
US-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N. V. (BE) 2005-06-09 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-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders CDK6, CDK1, CDK3 CDK2 4/4885CCNA2 78/4885GSK3A 324/4885

“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.