SCHEMBL4089478

SCHEMBL4089478

CCN1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3)c2)cc2nccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH1 P35367 1/20 0.36
MAPK14 Q16539 4/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MAP3K12 Q12852 1/20 0.35
ACHE P22303 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
FLT3 P36888 2/20 0.34
CCNT1 O60563 1/20 0.34
MEN1 O00255 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
SCHEMBL4101747 0.90 CCNA2 (0.40) NOS2HRH4HRH1MAPK14MAPK13
SCHEMBL4095574 0.90 PFKFB3 (0.34) MAPK14MAPK13MAPK12MAPK11MAP3K12
SCHEMBL4090269 0.88 ACHE (0.37) NOS2HRH4HRH1MAPK14MAPK13
SCHEMBL4090559 0.88 ACHE (0.37) NOS2HRH4HRH1MAPK14MAPK13
SCHEMBL4084894 0.86 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAP3K12
SCHEMBL4084897 0.86 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAP3K12
SCHEMBL4094696 0.86 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAP3K12
SCHEMBL4089120 0.84 IRAK4 (0.42) NOS2HRH4HRH1MAPK14MAPK13
SCHEMBL4084319 0.84 IRAK4 (0.42) NOS2HRH4HRH1MAPK14MAPK13
SCHEMBL4091329 0.83 ACHE (0.44) CCNA2CDK2CCNA1ACHECCNT1

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 NOS2 1022/4885HRH4 738/4885HRH1 2043/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 NOS2 937/4885HRH4 790/4885HRH1 2305/4885

“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.