SCHEMBL4065005

SCHEMBL4065005

CN(c1nc(Nc2ccc(N3CCNCC3)cc2)ncc1Br)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.55
CCND1 P24385 14/20 0.55
CDK2 P24941 8/20 0.55
FGFR1 P11362 7/20 0.55
FGFR2 P21802 7/20 0.55
FGFR4 P22455 7/20 0.55
FGFR3 P22607 7/20 0.55
CCNA2 P20248 6/20 0.55
CCND2 P30279 6/20 0.55
CCND3 P30281 6/20 0.55
CCNA1 P78396 3/20 0.55
TNK2 Q07912 1/20 0.54
CCNE1 P24864 4/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNE2 O96020 2/20 0.53
IGF1R P08069 1/20 0.53
CCNB2 O95067 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
NUAK1 O60285 1/20 0.52

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
SCHEMBL4068670 0.89 IGF1R (0.57) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL4068561 0.88 CDK4 (0.59) CDK4CCND1CDK2FGFR1FGFR2
SCHEMBL4067264 0.80 CCND3 (0.59) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL4073131 0.78 IGF1R (0.54) CDK4CCND1CCND2CCND3TNK2
Tert-Butyl Formate SCHEMBL27821262 0.78 CDK4 (0.46) CDK4CCND1CDK2FGFR1FGFR2
SCHEMBL13812805 0.77 CDK4 (0.52) CDK4CCND1CDK2CCNA2CCND2
SCHEMBL28775720 0.76 JAK3 (0.57) CDK4CCND1CDK2CCNA2CCNA1
SCHEMBL6087900 0.73 CDK4 (0.74) CDK4CCND1CDK2FGFR1FGFR2
SCHEMBL28775721 0.72 CA2 (0.53) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL13812812 0.72 JAK3 (0.44) CDK4CCND1CDK2FGFR1FGFR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796267-B2 Oxazolidinone derivatives and methods of use CONCERT PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
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
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 CDK4 1/4885CCND1 11/4885CDK2 4/4885

“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.