SCHEMBL4065441

SCHEMBL4065441

CC(=O)c1cnc(Nc2ccc(N3CCNCC3)cn2)nc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.61
CCND1 P24385 11/20 0.61
CCND3 P30281 8/20 0.61
CCND2 P30279 5/20 0.61
CCNA2 P20248 3/20 0.56
CDK2 P24941 3/20 0.56
CDK6 Q00534 3/20 0.56
CCNK O75909 2/20 0.54
CDK9 P50750 2/20 0.54
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
CCNT1 O60563 1/20 0.54
CCNT2 O60583 1/20 0.54
ROCK2 O75116 1/20 0.54
STK16 O75716 1/20 0.54
PDE5A O76074 1/20 0.54
PRKD3 O94806 1/20 0.54
CCNB2 O95067 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54

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
SCHEMBL4066350 0.90 CDK4 (0.56) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL13812725 0.87 CDK4 (0.47) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4064241 0.87 CDK4 (0.56) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4073235 0.86 CDK4 (0.64) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4068763 0.84 CDK4 (0.53) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4068767 0.84 CDK4 (0.53) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL13812807 0.83 CDK4 (0.64) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4067711 0.83 CCND3 (0.58) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4069536 0.82 CDK4 (0.54) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4067757 0.81 CDK4 (0.64) CDK4CCND1CCND3CCND2CCNA2

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
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP 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 CDK4 1/4885CCND1 11/4885CCND3 32/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CCND3 103/4885

“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.