SCHEMBL4508017

SCHEMBL4508017

Nc1nccc(-c2cc3c(n2CC(F)(F)F)C(CCC(F)(F)F)CNC3=O)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 0.62
CDK9 P50750 4/20 0.62
PRKCB P05771 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
GSK3B P49841 1/20 0.48
PLK1 P53350 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48

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
SCHEMBL4509955 0.93 CDC7 (0.63) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL4504342 0.92 CDC7 (0.61) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL5483894 0.90 CDC7 (0.63) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL5483896 0.90 CDC7 (0.63) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL5461008 0.85 CDC7 (0.66) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL5481089 0.83 CDC7 (0.62) CDC7CDK9
SCHEMBL5481095 0.83 CDC7 (0.62) CDC7CDK9
SCHEMBL5467300 0.82 CDC7 (0.61) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL4507524 0.82 CDC7 (0.60) CDC7CDK9PRKCBCDK2MAPK1
SCHEMBL5467305 0.81 CDC7 (0.60) CDC7CDK9PRKCBCDK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 CDC7 359/4885CDK9 48/4885PRKCB 183/4885

“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.