SCHEMBL6182367

SCHEMBL6182367

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.52
FEN1 P39748 1/20 0.52
GPR119 Q8TDV5 2/20 0.48
CHEK2 O96017 1/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
KDM1A O60341 1/20 0.42

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
SCHEMBL6195438 1.00 ALOX5AP (0.52) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL6535308 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL14045135 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL6535537 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL4314692 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL6535548 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL2889380 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL4326309 0.89 GPR119 (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL10223302 0.88 ALOX5AP (0.49) ALOX5APFEN1GPR119CHEK2HRH2
SCHEMBL4312705 0.88 GPR119 (0.48) ALOX5APFEN1GPR119CHEK2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
CN-100400041-C Diaminothiazoles useful as selective inhibitors of CDK4 HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
CN-1652780-A Diaminothiazoles used as CDK4 inhibitors HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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 (2 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALOX5AP 4173/4885FEN1 1529/4885GPR119 2051/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 ALOX5AP 3707/4885FEN1 2839/4885GPR119 2534/4885

“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.