SCHEMBL4070486

SCHEMBL4070486

COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2c1C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.65
CCND1 P24385 12/20 0.65
CDK2 P24941 9/20 0.65
CCNE1 P24864 8/20 0.65
CDK1 P06493 6/20 0.62
CCNB1 P14635 6/20 0.62
ALK Q9UM73 6/20 0.50
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46

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
SCHEMBL6087411 0.90 CDK4 (0.80) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL4065990 0.82 CDK4 (0.80) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL17293690 0.80 CDK2 (0.49) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL17293717 0.80 CDK2 (0.51) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL17293861 0.80 CDK2 (0.49) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL4065667 0.80 SYK (0.48) CDK4CCND1CDK2ALKCCND2
SCHEMBL6088241 0.79 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL12639355 0.79 CDK4 (0.58) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL4873151 0.78 CDK4 (0.68) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL4065296 0.78 CDK4 (0.51) CDK4CCND1CDK2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI CDK4 1/4885CCND1 11/4885CDK2 4/4885

“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.