SCHEMBL4073131

SCHEMBL4073131

CN(c1nc(Nc2ccc(N3CCOCC3)nc2)ncc1Br)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.54
TBK1 Q9UHD2 1/20 0.46
CDK4 P11802 3/20 0.45
FLT3 P36888 2/20 0.44
TNK2 Q07912 1/20 0.44
JAK3 P52333 4/20 0.43
LCK P06239 2/20 0.43
JAK1 P23458 1/20 0.43
ULK1 O75385 1/20 0.42
AURKA O14965 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CCNB3 Q8WWL7 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
SCHEMBL4068670 0.89 IGF1R (0.57) IGF1RCDK4TNK2AURKACCNB2
SCHEMBL4072604 0.79 IGF1R (0.66) IGF1RTBK1FLT3TNK2JAK3
SCHEMBL4065005 0.78 CDK4 (0.55) IGF1RCDK4TNK2CCNB2CDK1
SCHEMBL13812805 0.77 CDK4 (0.52) IGF1RCDK4TNK2JAK3LCK
SCHEMBL28775720 0.73 JAK3 (0.57) IGF1RCDK4JAK3LCKCDK1
SCHEMBL4067264 0.72 CCND3 (0.59) CDK4JAK3LCKCCND1CCND2
SCHEMBL5154996 0.72 JAK3 (0.45) IGF1RCDK4JAK3LCKJAK1
SCHEMBL12639310 0.71 CDK1 (0.59) CDK4FLT3AURKACCNB2CDK1
SCHEMBL5750343 0.70 CDK4 (0.71) CDK4CCNB2CDK1CCNB1CCND1
SCHEMBL14311358 0.70 IGF1R (0.64) IGF1RTNK2JAK3JAK1ULK1

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 639/4885TBK1 3230/4885CDK4 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.