SCHEMBL4068670

SCHEMBL4068670

CN(c1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Br)C1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.57
TNK2 Q07912 2/20 0.55
CDK4 P11802 5/20 0.52
AURKA O14965 1/20 0.52
CDK1 P06493 4/20 0.52
CCNB1 P14635 4/20 0.52
CCND1 P24385 4/20 0.52
CCNE1 P24864 3/20 0.52
CDK2 P24941 3/20 0.52
CCNB2 O95067 2/20 0.52
CCND2 P30279 2/20 0.52
CCND3 P30281 2/20 0.52
CCNB3 Q8WWL7 2/20 0.52
CCNE2 O96020 1/20 0.51
CCNA2 P20248 1/20 0.51
CCNA1 P78396 1/20 0.51
SYK P43405 2/20 0.50

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
SCHEMBL4073131 0.89 IGF1R (0.54) IGF1RTNK2CDK4AURKACDK1
SCHEMBL4065005 0.89 CDK4 (0.55) IGF1RTNK2CDK4CDK1CCNB1
SCHEMBL13812805 0.88 CDK4 (0.52) IGF1RTNK2CDK4AURKACDK1
SCHEMBL4067264 0.81 CCND3 (0.59) CDK4CCND1CCNE1CDK2CCND2
SCHEMBL13705502 0.79 ADORA3 (0.53) IGF1RCDK4AURKACDK1CCNB1
SCHEMBL4068561 0.77 CDK4 (0.59) CDK4CDK1CCNB1CCND1CDK2
SCHEMBL28775720 0.77 JAK3 (0.57) IGF1RCDK4CDK1CCNB1CCND1
SCHEMBL11346255 0.76 IGF1R (0.69) IGF1RTNK2SYK
SCHEMBL10138638 0.74 FGFR1 (0.49) IGF1RTNK2
SCHEMBL14594179 0.74 JAK2 (0.54) CDK4AURKACDK1CCNB1CCND1

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 IGF1R 639/4885TNK2 115/4885CDK4 1/4885

“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.