SCHEMBL4065296

SCHEMBL4065296

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncnc(NC4CCCC4)n3)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.51
CCND3 P30281 9/20 0.51
CDK6 Q00534 9/20 0.51
CCND1 P24385 8/20 0.51
CDK2 P24941 8/20 0.51
CCNA2 P20248 7/20 0.51
CDK1 P06493 5/20 0.51
CCNB1 P14635 5/20 0.51
CDK7 P50613 5/20 0.51
CCNH P51946 5/20 0.51
CDK9 P50750 5/20 0.50
CCNT1 O60563 4/20 0.50
DYRK2 Q92630 1/20 0.49
CCND2 P30279 1/20 0.49
SYK P43405 1/20 0.48
WNT3A P56704 1/20 0.48
ALOX5 P09917 1/20 0.47
ALK Q9UM73 3/20 0.46
CCNK O75909 1/20 0.45

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
SCHEMBL4066035 0.88 CDK4 (0.47) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4068757 0.86 WNT3A (0.49) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4065950 0.86 SYK (0.53) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4071068 0.86 SYK (0.51) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4073699 0.85 SYK (0.51) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4063982 0.85 SYK (0.56) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4071098 0.84 SYK (0.49) CDK4CCND3CDK6CCND1CDK2
SCHEMBL13812732 0.83 SYK (0.51) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4068180 0.82 SYK (0.53) CDK4CCND3CDK6CCND1CDK2
SCHEMBL4071155 0.82 SYK (0.53) CDK4CCND3CDK6CCND1CDK2

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 1/4885CCND3 32/4885CDK6 25/4885

“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.