SCHEMBL4065082

SCHEMBL4065082

O=[N+]([O-])c1cnc(Nc2ccc(N3CCNCC3)cn2)cc1NC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
CDK4 P11802 17/20 0.50
CDK6 Q00534 5/20 0.50
MAPK1 P28482 1/20 0.49
CCND1 P24385 14/20 0.48
CCND3 P30281 10/20 0.48
CCND2 P30279 8/20 0.48
CCNA2 P20248 7/20 0.48
CDK2 P24941 7/20 0.48
CCNA1 P78396 4/20 0.48
FGFR1 P11362 5/20 0.47
FGFR2 P21802 5/20 0.47
FGFR4 P22455 5/20 0.47
FGFR3 P22607 5/20 0.47
CCNT1 O60563 2/20 0.46
CDK7 P50613 2/20 0.46

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
SCHEMBL4066444 0.83 CDK4 (0.52) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4073403 0.83 CDK4 (0.54) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4068176 0.83 CDK4 (0.56) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4069172 0.81 CDK4 (0.59) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4066866 0.80 CDK4 (0.56) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4065417 0.80 CDK4 (0.52) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4065137 0.79 FLT3 (0.58) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4065148 0.79 CHEK1 (0.51) CDK4CDK6CCND1CCND3CCND2
SCHEMBL5176127 0.78 CDK4 (0.55) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4072418 0.77 CDK4 (0.62) CDK4CDK6CCND1CCND3CCND2

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
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO 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 MAPT 4640/4885CYP1A2 2135/4885CYP2C9 3810/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 MAPT 4530/4885CYP1A2 3611/4885CYP2C9 3992/4885

“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.