SCHEMBL4414254

SCHEMBL4414254

Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.77
CDK4 P11802 6/20 0.41
CCND1 P24385 4/20 0.41
CDK9 P50750 2/20 0.41
CDK11A Q9UQ88 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK6 Q00534 1/20 0.41
JAK1 P23458 5/20 0.40
TYK2 P29597 5/20 0.40
JAK3 P52333 4/20 0.40
CDK1 P06493 3/20 0.40
JAK2 O60674 4/20 0.40
KDM6B O15054 1/20 0.39
FTO Q9C0B1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
CDK5 Q00535 3/20 0.38
SYK P43405 2/20 0.38

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
SCHEMBL4416712 0.91 CDK2 (0.74) CDK2CDK4CCND1CDK9CDK11A
SCHEMBL4413597 0.89 CDK2 (0.72) CDK2CDK4CCND1JAK1TYK2
SCHEMBL4416745 0.87 CDK2 (0.69) CDK2CDK4CCND1CDK9CDK11A
SCHEMBL4419524 0.87 CDK2 (1.00) CDK2CDK4CCND1CDK9CDK11A
SCHEMBL4419088 0.83 CDK2 (0.74) CDK2CDK1MEN1KMT2A
SCHEMBL4411192 0.81 CDK2 (0.61) CDK2CDK4CCND1JAK1TYK2
SCHEMBL6027265 0.78 CDK2 (0.73) CDK2MEN1KMT2AMAPT
SCHEMBL6027091 0.76 CDK2 (0.54) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL3839632 0.74 CDK2 (0.52) CDK2CDK4CCND1CDK1CCNB1
SCHEMBL4412149 0.72 CDK2 (0.81) CDK2CDK4CCND1JAK1TYK2

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
US-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N. V. (BE) 2005-06-09 US disclosed
WO-2005051387-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-09 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-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders CDK6, CDK1, CDK3 CDK2 4/4885CDK4 7/4885CCND1 119/4885

“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.