SCHEMBL5459407

SCHEMBL5459407

CN1CCC(n2c(-c3ccnc(N)n3)cc3c2CCNC3=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 1.00
MAPK1 P28482 1/20 0.48
CDK9 P50750 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
PLK1 P53350 1/20 0.47
CCNA1 P78396 1/20 0.47
PKN1 Q16512 2/20 0.43
PKN2 Q16513 2/20 0.43
MAPK14 Q16539 1/20 0.42

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
Hydrochloric Acid SCHEMBL17182175 0.99 CDC7 (0.98) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL5465722 0.92 CDC7 (0.91) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL5455991 0.90 CDC7 (1.00) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL5473188 0.89 CDC7 (0.94) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL3427224 0.82 CDC7 (1.00) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL17182022 0.82 CDC7 (0.69) CDC7MAPK1PKN1PKN2
SCHEMBL5335828 0.79 CDC7 (1.00) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL5469534 0.78 CDC7 (1.00) CDC7MAPK1CDK9CCNA2CDK2
SCHEMBL5451409 0.77 CDC7 (1.00) CDC7CDK9CCNA2CDK2PLK1
SCHEMBL5454510 0.77 CDC7 (1.00) CDC7MAPK1CDK9CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US claimed
US-20070142414-A1 N-substituted pyrrolopyridinones 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-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 CDC7 251/4885MAPK1 106/4885CDK9 22/4885

“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.