SCHEMBL4084319

SCHEMBL4084319

c1ccc(CNc2cc(-c3cc4nccn4c(N4C[C@@H]5C[C@H]4CN5)n3)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
ACHE P22303 2/20 0.37
MAOB P27338 1/20 0.37
HTR6 P50406 1/20 0.37
PRKCI P41743 1/20 0.36
NOS2 P35228 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CCNT1 O60563 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL4089120 1.00 IRAK4 (0.42) IRAK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL4084142 0.92 CCNT1 (0.42) IRAK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL4090024 0.92 MAOB (0.44) IRAK4ACHEMAOBHTR6HRH4
SCHEMBL4084445 0.89 IRAK4 (0.40) IRAK4CCNT1CDK9ROCK2ROCK1
SCHEMBL13708602 0.89 IRAK4 (0.40) IRAK4CCNT1CDK9ROCK2ROCK1
SCHEMBL4084081 0.89 IRAK4 (0.41) IRAK4MAPK14ACHEMAOBHTR6
SCHEMBL4097183 0.89 IRAK4 (0.41) IRAK4MAPK14ACHEMAOBHTR6
SCHEMBL6492443 0.88 IRAK4 (0.41) IRAK4MAOBHTR6ROCK2ROCK1
SCHEMBL4101747 0.85 CCNA2 (0.40) MAPK14MAPK13MAPK12MAPK11ACHE
SCHEMBL4089478 0.84 NOS2 (0.36) MAPK14MAPK13MAPK12MAPK11ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US 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 IRAK4 250/4885MAPK14 1220/4885MAPK13 300/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IRAK4 336/4885MAPK14 964/4885MAPK13 321/4885

“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.