SCHEMBL4094561

SCHEMBL4094561

Fc1ccccc1CNc1cc(-n2nc(N3CC4CC3CN4)c3ccccc32)ccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.38
MAOB P27338 1/20 0.37
HTR6 P50406 1/20 0.37
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
HRH4 Q9H3N8 1/20 0.35
BRAF P15056 2/20 0.34
NTRK1 P04629 1/20 0.33
MAP4K1 Q92918 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MAPK8 P45983 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 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
SCHEMBL4089781 0.90 MAOB (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4099608 0.90 MAOB (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4094677 0.86 MEN1 (0.36) HRH4BRAFMAP4K1MEN1KMT2A
SCHEMBL5981840 0.85 MKNK1 (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4090285 0.85 KHK (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4089257 0.85 KHK (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4089167 0.84 MEN1 (0.34) HRH4MEN1KMT2ACCNT1CDK9
SCHEMBL4084195 0.82 KHK (0.42) KHKMAOBHTR6CHRNB2CHRNA4
SCHEMBL4094608 0.82 KHK (0.40) KHKCHRNB2CHRNA4HRH4BRAF
SCHEMBL4095017 0.82 KHK (0.40) KHKCHRNB2CHRNA4HRH4BRAF

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 9 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
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 KHK 2675/4885MAOB 3290/4885HTR6 1324/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KHK 2674/4885MAOB 3133/4885HTR6 1154/4885

“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.