SCHEMBL4416712

SCHEMBL4416712

Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.74
JAK1 P23458 3/20 0.49
TYK2 P29597 3/20 0.49
JAK3 P52333 2/20 0.49
MAPT P10636 2/20 0.43
CCNA2 P20248 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDK4 P11802 3/20 0.41
DHFR P00374 2/20 0.41
JAK2 O60674 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPC1 O15118 1/20 0.40
BCL6 P41182 1/20 0.39
ROCK1 Q13464 1/20 0.39

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 0.91 CDK2 (0.77) CDK2JAK1TYK2JAK3MAPT
SCHEMBL4413597 0.90 CDK2 (0.72) CDK2JAK1TYK2JAK3RAB9A
SCHEMBL4419088 0.87 CDK2 (0.74) CDK2MEN1KMT2A
SCHEMBL4419524 0.86 CDK2 (1.00) CDK2JAK1TYK2JAK3CCNA2
SCHEMBL4411192 0.85 CDK2 (0.61) CDK2JAK1TYK2JAK3MAPT
SCHEMBL6027265 0.82 CDK2 (0.73) CDK2MAPTMEN1KMT2A
SCHEMBL18616287 0.79 AURKA (0.53) CDK2JAK1TYK2JAK3MAPT
SCHEMBL6027091 0.77 CDK2 (0.54) CDK2MEN1KMT2ACDK4CCND1
SCHEMBL3839632 0.75 CDK2 (0.52) CDK2MEN1KMT2ACDK4CCND1
SCHEMBL1250645 0.73 CDK2 (0.72) CDK2MAPTCCNA2MEN1KMT2A

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 4/4885JAK1 165/4885TYK2 371/4885

“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.