SCHEMBL4065990

SCHEMBL4065990

COc1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2c1C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.80
CCND1 P24385 16/20 0.80
CDK2 P24941 11/20 0.80
CCNE1 P24864 9/20 0.80
CDK1 P06493 8/20 0.80
CCNB1 P14635 8/20 0.80
FGFR1 P11362 2/20 0.56
CCNA2 P20248 2/20 0.56
FGFR2 P21802 2/20 0.56
FGFR4 P22455 2/20 0.56
FGFR3 P22607 2/20 0.56
CCND2 P30279 2/20 0.56
CCND3 P30281 2/20 0.56
CCNA1 P78396 2/20 0.56
CDK6 Q00534 5/20 0.56

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
SCHEMBL4065114 0.89 CDK4 (0.64) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087333 0.89 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086681 0.86 CDK4 (0.94) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL4070486 0.82 CDK4 (0.65) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6088024 0.81 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087349 0.80 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6086870 0.79 CDK4 (0.77) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6089136 0.79 CDK4 (1.00) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087463 0.79 CDK4 (0.77) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL6087555 0.78 CDK4 (0.87) CDK4CCND1CDK2CCNE1CDK1

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 13 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 claimed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP claimed
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 claimed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US 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 (2 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
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CDK2 3/4885

“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.