SCHEMBL4065667

SCHEMBL4065667

COC1=C(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc2CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CDK4 P11802 9/20 0.47
CCND1 P24385 5/20 0.47
CCND3 P30281 4/20 0.47
CCND2 P30279 1/20 0.47
CDK2 P24941 5/20 0.46
CCNA2 P20248 4/20 0.46
CDK6 Q00534 4/20 0.46
ALK Q9UM73 5/20 0.45
PLK1 P53350 1/20 0.45
CCNA1 P78396 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
PLK2 Q9NYY3 1/20 0.45
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
MAPT P10636 1/20 0.43
CCNK O75909 1/20 0.43
DYRK2 Q92630 1/20 0.43

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
SCHEMBL21663148 0.83 CDK4 (0.71) SYKCDK4CCND1CCND3CCND2
SCHEMBL6087311 0.81 CDK4 (0.64) SYKCDK4CCND1CCND3CCND2
SCHEMBL4070486 0.80 CDK4 (0.65) CDK4CCND1CCND3CCND2CDK2
SCHEMBL14681895 0.79 CDK4 (0.55) SYKCDK4CCND1CCND3CCND2
SCHEMBL6087577 0.79 SYK (0.56) SYKCDK4CCND1CCND3CDK2
SCHEMBL21663050 0.78 CDK4 (0.69) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL6088759 0.78 CDK2 (0.66) SYKCDK4CCND1CCND3CDK2
SCHEMBL4065296 0.77 CDK4 (0.51) SYKCDK4CCND1CCND3CCND2
SCHEMBL21663302 0.77 CDK4 (0.54) CDK4CCND1CCND3CCND2CDK2
SCHEMBL6086979 0.77 CDK2 (0.51) SYKCDK4CCND1CCND3CDK2

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 2974/4885CDK4 1/4885CCND1 11/4885

“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.