SCHEMBL4084339

SCHEMBL4084339

CSc1nc(-c2ccnc(Cl)c2)cc(N2CC3CC2CN3C(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
HDAC1 Q13547 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
RET P07949 2/20 0.40
MAP3K12 Q12852 6/20 0.39
MAPK8 P45983 1/20 0.37
HSD11B1 P28845 1/20 0.36
GRM2 Q14416 1/20 0.36
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
MAP3K13 O43283 2/20 0.35
AAK1 Q2M2I8 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
SCHEMBL4095374 0.82 GPR119 (0.47) PARP1HDAC1GPR119RETMAP3K12
SCHEMBL4103101 0.82 HDAC1 (0.41) PARP1HDAC1RETMAPK8
SCHEMBL5981308 0.82 PARP1 (0.41) PARP1HDAC1GPR119RETMAP3K12
SCHEMBL5981309 0.82 HDAC1 (0.41) PARP1HDAC1GPR119RETMAPK8
SCHEMBL4091059 0.81 USP30 (0.43) PARP1HDAC1GPR119RETMAPK8
SCHEMBL4094819 0.80 GSK3B (0.45) PARP1HDAC1GPR119RETMAPK8
SCHEMBL4091170 0.79 PARP1 (0.46) PARP1HDAC1GPR119RETMAPK8
SCHEMBL4094405 0.79 GPR119 (0.42) PARP1HDAC1GPR119RETMAPK8
SCHEMBL4099561 0.79 GPR119 (0.42) PARP1HDAC1GPR119RETMAPK8
SCHEMBL11963256 0.75 HDAC1 (0.48) PARP1HDAC1GPR119RETMAPK8

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 PARP1 1569/4885HDAC1 1562/4885GPR119 701/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885HDAC1 2036/4885GPR119 527/4885

“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.