SCHEMBL4084964

SCHEMBL4084964

CC(C)(C)OC(=O)N1CC2CC1CN2c1nn(-c2ccnc(Cl)c2)c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
PARP1 P09874 1/20 0.38
RET P07949 2/20 0.37
HDAC1 Q13547 1/20 0.37
DGAT2 Q96PD7 5/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
HSD11B1 P28845 1/20 0.35
FAAH O00519 1/20 0.34
SPR P35270 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL4089777 0.84 PLK1 (0.43) MAPK8PARP1HDAC1
SCHEMBL6533541 0.77 MAPK8 (0.43) MAPK8GPR119PARP1HDAC1HSD11B1
SCHEMBL6533999 0.76 PLK1 (0.42) MAPK8PARP1HDAC1
SCHEMBL4101616 0.76 PARP1 (0.40) MAPK8GPR119PARP1HDAC1SPR
SCHEMBL4096941 0.76 PARP1 (0.40) MAPK8GPR119PARP1HDAC1SPR
SCHEMBL4098948 0.76 PARP1 (0.40) MAPK8GPR119PARP1HDAC1SPR
SCHEMBL4095381 0.75 HSD11B1 (0.47) GPR119PARP1RETHDAC1HSD11B1
SCHEMBL11963309 0.74 PARP1 (0.51) MAPK8GPR119PARP1RETHDAC1
SCHEMBL11963308 0.74 PARP1 (0.51) MAPK8GPR119PARP1RETHDAC1
SCHEMBL5986376 0.74 PARP1 (0.42) MAPK8GPR119PARP1RETHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK8 1645/4885GPR119 701/4885PARP1 1569/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK8 1971/4885GPR119 527/4885PARP1 2042/4885

“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.