SCHEMBL4065950

SCHEMBL4065950

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(N)c(NC4CCCC4)n3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.53
CCND3 P30281 5/20 0.49
CDK4 P11802 5/20 0.49
ALK Q9UM73 5/20 0.49
CDK2 P24941 5/20 0.49
CCND1 P24385 4/20 0.49
CCNA2 P20248 4/20 0.49
CDK6 Q00534 4/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
CDK9 P50750 3/20 0.48
CCNT1 O60563 2/20 0.48
CCND2 P30279 1/20 0.48
CCNK O75909 1/20 0.48
DYRK2 Q92630 1/20 0.47

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
SCHEMBL4071068 0.90 SYK (0.51) SYKCCND3CDK4ALKCDK2
SCHEMBL5520791 0.90 SYK (0.62) SYKCCND3CDK4CDK2CCND1
SCHEMBL4073699 0.89 SYK (0.51) SYKCCND3CDK4ALKCDK2
SCHEMBL4063982 0.89 SYK (0.56) SYKCCND3CDK4ALKCDK2
SCHEMBL4071098 0.88 SYK (0.49) SYKCCND3CDK4ALKCDK2
SCHEMBL13812732 0.87 SYK (0.51) SYKCCND3CDK4ALKCDK2
SCHEMBL4065296 0.86 CDK4 (0.51) SYKCCND3CDK4ALKCDK2
SCHEMBL4071155 0.86 SYK (0.53) SYKCCND3CDK4ALKCDK2
SCHEMBL4068180 0.86 SYK (0.53) SYKCCND3CDK4CDK2CCND1
SCHEMBL4071154 0.86 SYK (0.53) SYKCCND3CDK4ALKCDK2

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 SYK 2974/4885CCND3 32/4885CDK4 1/4885

“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.