SCHEMBL4089789

SCHEMBL4089789

FC(F)(F)c1ccc2c(N3C[C@@H]4C[C@H]3CN4)nn(-c3ccnc(NCc4ccccc4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
KHK P50053 1/20 0.40
MAPK14 Q16539 1/20 0.38
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36
ACHE P22303 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MCHR1 Q99705 1/20 0.35
BRAF P15056 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPK8 P45983 1/20 0.34
NOS2 P35228 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
SCHEMBL4089257 0.90 KHK (0.42) KHKMAPK14MAOBHTR6CHRNB2
SCHEMBL4090285 0.90 KHK (0.42) KHKMAPK14MAOBHTR6CHRNB2
SCHEMBL4089781 0.88 MAOB (0.42) HRH4KHKMAOBHTR6CHRNB2
SCHEMBL4099608 0.88 MAOB (0.42) HRH4KHKMAOBHTR6CHRNB2
SCHEMBL4098957 0.88 KHK (0.46) KHKMAPK14MAOBHTR6CHRNB2
SCHEMBL4084537 0.85 MAPK14 (0.42) HRH4KHKMAPK14
SCHEMBL4103090 0.84 ITGAL (0.40) MAPK14ACHE
SCHEMBL5981840 0.81 MKNK1 (0.42) HRH4KHKMAOBHTR6ACHE
SCHEMBL4094561 0.80 KHK (0.38) HRH4KHKMAOBHTR6CHRNB2
SCHEMBL6533541 0.80 MAPK8 (0.43) MAPK14ACHEMAPK8

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 5 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
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 HRH4 738/4885KHK 2675/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HRH4 790/4885KHK 2674/4885MAPK14 964/4885

“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.