SCHEMBL4246566

SCHEMBL4246566

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Cl)nc(NC4CCCC4)n3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
SYK P43405 2/20 0.49
CCND3 P30281 2/20 0.48
RAB9A P51151 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 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 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
SCHEMBL4067722 0.83 SYK (0.58) DDB1CRBNSYKCCND3CDK4
SCHEMBL4068527 0.79 FLT3 (0.56) SYKRAB9ACDK4MAPTHTT
SCHEMBL6240664 0.78 ALOX5 (0.49) DDB1CRBNRAB9AALDH1A1MAPT
SCHEMBL10206149 0.77 CCND3 (0.51) DDB1CRBNSYKCCND3CDK4
SCHEMBL10282862 0.77 MAPT (0.51) RAB9AALDH1A1MAPTNPC1MAPK1
SCHEMBL11977219 0.77 CDK4 (0.63) DDB1CRBNSYKCCND3CDK4
SCHEMBL13616300 0.77 CCND3 (0.49) DDB1CRBNSYKCCND3CDK4
SCHEMBL26619923 0.76 DDB1 (0.51) DDB1CRBNSYKCCND3CDK2
SCHEMBL24590342 0.75 DDB1 (0.63) DDB1CRBNALDH1A1MAPTWNT3A
SCHEMBL5748552 0.75 CDK2 (0.59) DDB1CRBNCCND3CDK4CCND1

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 DDB1 184/4885CRBN 373/4885SYK 2974/4885

“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.