SCHEMBL4091469

SCHEMBL4091469

CC(C)N1CC2CC1CN2c1nn(-c2ccnc(NCc3ccccc3)c2)c2cc(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.36
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
NOS2 P35228 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PLK1 P53350 2/20 0.34
ACHE P22303 4/20 0.34
PIK3CD O00329 1/20 0.33
CCNT1 O60563 1/20 0.32
BACE1 P56817 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL4094799 0.92 NOS2 (0.38) NOS2PLK1ACHECCNT1HRH4
SCHEMBL4094443 0.89 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11NOS2
SCHEMBL4100799 0.88 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11NOS2
SCHEMBL4089167 0.85 MEN1 (0.34) MAPK14MAPK13MAPK12MAPK11ACHE
SCHEMBL4089257 0.83 KHK (0.42) MAPK14MAPK13MAPK12MAPK11NOS2
SCHEMBL4090285 0.83 KHK (0.42) MAPK14MAPK13MAPK12MAPK11NOS2
SCHEMBL4091257 0.82 PLK1 (0.46) MAPK14PLK1
SCHEMBL4089361 0.81 PLK1 (0.42) MAPK14MAPK13MAPK12MAPK11PLK1
SCHEMBL4095076 0.81 NOS2 (0.40) MAPK14MAPK13MAPK12MAPK11NOS2
SCHEMBL4094568 0.79 NOS2 (0.39) MAPK14NOS2PLK1ACHECCNT1

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 7 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 claimed
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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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 MAPK14 1220/4885MAPK13 300/4885MAPK12 756/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885MAPK13 321/4885MAPK12 639/4885

“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.