SCHEMBL4089979

SCHEMBL4089979

CC(Nc1cc(-c2ccnc(N3CC4CC3CN4C(=O)OC(C)(C)C)c2)ccn1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
PARP1 P09874 1/20 0.44
RET P07949 2/20 0.41
MAPK8 P45983 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
USP30 Q70CQ3 2/20 0.38
MAPK14 Q16539 6/20 0.38
BUB1 O43683 1/20 0.38
MAPK10 P53779 1/20 0.37
CAMK2D Q13557 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
ERBB2 P04626 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL4103101 0.86 HDAC1 (0.41) HDAC1PARP1RETMAPK8MAPK14
SCHEMBL4089996 0.86 HDAC1 (0.40) HDAC1PARP1GPR119MAPK14MAPK10
SCHEMBL13708582 0.84 PARP1 (0.42) HDAC1PARP1MAPK8MAPK14CAMK2D
SCHEMBL4084511 0.84 PARP1 (0.42) HDAC1PARP1MAPK8GPR119MAPK14
SCHEMBL4084220 0.84 PARP1 (0.42) HDAC1PARP1MAPK8MAPK14CAMK2D
SCHEMBL4084666 0.84 PARP1 (0.42) HDAC1PARP1MAPK8MAPK14CAMK2D
SCHEMBL4096958 0.84 PARP1 (0.40) HDAC1PARP1MAPK8MAPK14MAPK10
SCHEMBL4090922 0.83 HDAC1 (0.38) HDAC1PARP1GPR119USP30MAPK14
SCHEMBL4091452 0.83 HDAC1 (0.38) HDAC1PARP1GPR119USP30MAPK14
SCHEMBL4092452 0.80 MAPK14 (0.43) MAPK8MAPK14MAPK10CAMK2DEGFR

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 HDAC1 1562/4885PARP1 1569/4885RET 724/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HDAC1 2036/4885PARP1 2042/4885RET 680/4885

“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.