SCHEMBL4065031

SCHEMBL4065031

Nc1nc(Nc2ccc(N3CCOCC3)cn2)ncc1CO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 7/20 0.51
CDK6 Q00534 5/20 0.51
CCNK O75909 1/20 0.51
CDK9 P50750 1/20 0.51
CDK4 P11802 12/20 0.49
CCND1 P24385 9/20 0.49
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CDK1 P06493 1/20 0.46
CCNE1 P24864 1/20 0.45
CCND2 P30279 3/20 0.45
STAT6 P42226 3/20 0.44
JAK3 P52333 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
PCSK9 Q8NBP7 1/20 0.44

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
SCHEMBL4066032 0.87 CDK4 (0.60) CCND3CDK6CCNKCDK9CDK4
SCHEMBL4064241 0.81 CDK4 (0.56) CCND3CDK6CCNKCDK9CDK4
SCHEMBL10323949 0.73 PIK3CA (0.55)
SCHEMBL23711847 0.72 CCND1 (0.53) CCND3CDK6CCNKCDK9CDK4
SCHEMBL12952691 0.71 POLB (0.51) CCND3CDK6CCNKCDK9CDK4
SCHEMBL4064212 0.70 CDK4 (0.56) CCND3CDK6CCNKCDK9CDK4
SCHEMBL24386061 0.70 CDK4 (0.52) CCND3CDK6CCNKCDK9CDK4
SCHEMBL24385952 0.70 CDK4 (0.54) CCND3CDK6CCNKCDK9CDK4
SCHEMBL29777450 0.69 SYK (0.60) CCND3CDK6CCNKCDK9CDK4
SCHEMBL11346255 0.69 IGF1R (0.69)

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 CCND3 32/4885CDK6 25/4885CCNK 8/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CCND3 103/4885CDK6 7/4885CCNK 45/4885

“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.