SCHEMBL4084142

SCHEMBL4084142

Fc1cccc(CNc2cc(-c3cc4nccn4c(N4CC5CC4CN5)n3)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.42
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
CDK9 P50750 3/20 0.37
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
CSNK1E P49674 1/20 0.35
VCP P55072 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
MAOB P27338 1/20 0.34
HTR6 P50406 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL4084319 0.92 IRAK4 (0.42) CCNT1IRAK4CDK9MAPK14MAPK13
SCHEMBL4089120 0.92 IRAK4 (0.42) CCNT1IRAK4CDK9MAPK14MAPK13
SCHEMBL4090024 0.91 MAOB (0.44) CCNT1IRAK4CDK9VCPCHRNB2
SCHEMBL4084445 0.87 IRAK4 (0.40) CCNT1IRAK4CDK9CSNK1EVCP
SCHEMBL13708602 0.87 IRAK4 (0.40) CCNT1IRAK4CDK9CSNK1EVCP
SCHEMBL4097183 0.84 IRAK4 (0.41) IRAK4MAPK14MAOBHTR6
SCHEMBL4084081 0.84 IRAK4 (0.41) IRAK4MAPK14MAOBHTR6
SCHEMBL4098877 0.84 CCNT1 (0.40) CCNT1KDM5AKDM4CKDM5BCDK9
SCHEMBL6492443 0.80 IRAK4 (0.41) KDM5BIRAK4CSNK1ECHRNB2CHRNA4
SCHEMBL4090691 0.80 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO claimed
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 CCNT1 841/4885KDM5A 3768/4885KDM4C 3371/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 CCNT1 1093/4885KDM5A 4190/4885KDM4C 3586/4885

“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.