SCHEMBL4067264

SCHEMBL4067264

CN(c1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)ncc1Br)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.59
CDK4 P11802 2/20 0.59
CCND1 P24385 2/20 0.59
CCND2 P30279 1/20 0.59
CDK2 P24941 3/20 0.53
CCNK O75909 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
SYK P43405 6/20 0.52
JAK3 P52333 4/20 0.47
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNE1 P24864 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
SCHEMBL13812976 0.91 CDK4 (0.64) CCND3CDK4CCND1CCND2CDK2
Hydrochloric Acid SCHEMBL17838912 0.87 CCND3 (0.51) CCND3CDK4CCND1CCND2CDK2
SCHEMBL1979124 0.87 CCND3 (0.55) CCND3CDK4CCND1CCND2CDK2
SCHEMBL4068670 0.81 IGF1R (0.57) CCND3CDK4CCND1CCND2CDK2
SCHEMBL4067261 0.81 SYK (0.70) CCND3CDK4CCND1CCND2CDK2
SCHEMBL4065005 0.80 CDK4 (0.55) CCND3CDK4CCND1CCND2CDK2
SCHEMBL13768876 0.80 CDK4 (0.59) CCND3CDK4CCND1CCND2CDK2
SCHEMBL6073717 0.77 CDK4 (0.54) CCND3CDK4CCND1CCND2CDK2
SCHEMBL5520791 0.77 SYK (0.62) CCND3CDK4CCND1CCND2CDK2
SCHEMBL11977245 0.77 CDK2 (0.75) CCND3CDK4CCND1CCND2CDK2

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 CCND3 32/4885CDK4 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.