SCHEMBL4065385

SCHEMBL4065385

NC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(NC4CCCC4)n3)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.48
CCND1 P24385 7/20 0.48
CCND3 P30281 7/20 0.48
CDK6 Q00534 6/20 0.48
CDK2 P24941 5/20 0.48
CCNT1 O60563 4/20 0.48
CCNA2 P20248 4/20 0.48
CDK9 P50750 4/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CDK7 P50613 2/20 0.48
CCNH P51946 2/20 0.48
CCND2 P30279 2/20 0.47
CTSC P53634 1/20 0.44
SYK P43405 9/20 0.43
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
JAK2 O60674 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL13812507 0.86 CTSC (0.45) CDK4CCND1CCND3CDK6CDK2
SCHEMBL4073403 0.86 CDK4 (0.54) CDK4CCND1CCND3CDK6CDK2
SCHEMBL4067659 0.86 CDK2 (0.39) CDK4CCND1CCND3CDK6CDK2
Ammonia Solution, Strong SCHEMBL4445953 0.84 CDK4 (0.48) CDK4CCND1CCND3CDK6CDK2
SCHEMBL5520583 0.76 SYK (0.65) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL14001913 0.75 SYK (0.64) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL5511671 0.75 SYK (0.54) SYK
SCHEMBL5513153 0.75 SYK (0.65) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4065714 0.74 CDK4 (0.53) CDK4CCND1CCND3CDK6CDK2
SCHEMBL12639219 0.74 SYK (0.64) CDK4CCND1CCND3CDK2CCNA2

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 9 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
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
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
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.