SCHEMBL4067722

SCHEMBL4067722

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc(Br)c(NC4CCCC4)n3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.58
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
IGF1R P08069 3/20 0.49
CCND3 P30281 2/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCND2 P30279 1/20 0.48
CDK2 P24941 2/20 0.48
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
FLT3 P36888 1/20 0.48
TYRO3 Q06418 1/20 0.48
MERTK Q12866 1/20 0.48
GAS6 Q14393 1/20 0.48
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL20154930 0.83 IGF1R (0.51) SYKAURKAAURKBIGF1RGPR119
SCHEMBL4071068 0.83 SYK (0.51) SYKAURKAAURKBIGF1RCCND3
SCHEMBL4246566 0.83 DDB1 (0.53) SYKDDB1CRBNCCND3CDK4
SCHEMBL5748552 0.80 CDK2 (0.59) DDB1CRBNCCND3CDK4CCND1
SCHEMBL13859334 0.80 EGFR (0.58) SYK
SCHEMBL4072604 0.80 IGF1R (0.66) SYKAURKAAURKBIGF1RFLT3
SCHEMBL5520791 0.79 SYK (0.62) SYKCCND3CDK4CCND1CCND2
SCHEMBL4067261 0.78 SYK (0.70) SYKCCND3CDK4CCND1CCND2
SCHEMBL13859464 0.78 EGFR (0.57) SYK
SCHEMBL6390792 0.77 CDK4 (0.63) CCND3CDK4CCND1CCND2CDK2

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 SYK 2974/4885AURKA 69/4885AURKB 67/4885

“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.