SCHEMBL4090559

SCHEMBL4090559

CC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3)c2)cc2nccn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.37
AAK1 Q2M2I8 1/20 0.37
NOS2 P35228 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAPK14 Q16539 4/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MAP3K12 Q12852 1/20 0.35
SYK P43405 1/20 0.34
FLT3 P36888 2/20 0.34
CCNT1 O60563 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4090269 1.00 ACHE (0.37) ACHEAAK1NOS2HRH1HRH4
SCHEMBL4098877 0.92 CCNT1 (0.40) HRH4MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708605 0.90 MAPK1 (0.34) ACHEMAPK14MAPK13MAPK12MAPK11
SCHEMBL4094675 0.90 MAPK1 (0.34) ACHEMAPK14MAPK13MAPK12MAPK11
SCHEMBL4101747 0.89 CCNA2 (0.40) ACHENOS2HRH1HRH4MAPK14
SCHEMBL4095535 0.89 ACHE (0.42) ACHEMAPK14MEN1CYP3A4KMT2A
SCHEMBL4091458 0.89 ACHE (0.42) ACHEMAPK14MEN1CYP3A4KMT2A
SCHEMBL4098900 0.88 MAPK14 (0.36) MAPK14MAP3K12SYKKDM4EMEN1
SCHEMBL4089478 0.88 NOS2 (0.36) ACHEAAK1NOS2HRH1HRH4
SCHEMBL4091456 0.88 MAPK14 (0.36) MAPK14MAP3K12SYKFLT3KDM4E

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 10 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-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
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 ACHE 2707/4885AAK1 1391/4885NOS2 1022/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 ACHE 2633/4885AAK1 1278/4885NOS2 937/4885

“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.