SCHEMBL4089257

SCHEMBL4089257

Fc1ccc2c(N3CC4CC3CN4)nn(-c3ccnc(NCc4ccccc4)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MAPK14 Q16539 6/20 0.37
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
NOS2 P35228 1/20 0.36
BRAF P15056 1/20 0.35
NTRK1 P04629 1/20 0.35
MAP4K2 Q12851 1/20 0.35
STK4 Q13043 1/20 0.35
MAP4K1 Q92918 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
SCHEMBL4090285 1.00 KHK (0.42) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4099608 0.91 MAOB (0.42) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4089781 0.91 MAOB (0.42) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4098957 0.91 KHK (0.46) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4089789 0.90 HRH4 (0.42) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4094443 0.85 MAPK14 (0.39) KDM5AKDM4CKDM5BMAPK14MAPK13
SCHEMBL4094561 0.85 KHK (0.38) KHKCHRNB2CHRNA4MAOBHTR6
SCHEMBL4100799 0.84 MAPK14 (0.37) KDM5AKDM4CKDM5BMAPK14MAPK13
SCHEMBL4084323 0.84 PLK1 (0.49) KHKCHRNB2CHRNA4MAPK14
SCHEMBL4101712 0.84 PLK1 (0.49) KHKCHRNB2CHRNA4MAPK14

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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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-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
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 KHK 2675/4885CHRNB2 1720/4885CHRNA4 1639/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KHK 2674/4885CHRNB2 1652/4885CHRNA4 1548/4885

“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.