SCHEMBL4094525

SCHEMBL4094525

CC(C)C(C)Nc1cc(-c2cc3nccn3c(N3CC4CC3CN4)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
ATR Q13535 1/20 0.36
CHRNB2 P17787 7/20 0.36
CHRNA4 P43681 7/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MAPK14 Q16539 3/20 0.35
MAP3K12 Q12852 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
SCHEMBL4098834 1.00 IRAK4 (0.41) IRAK4ATRCHRNB2CHRNA4CCNT1
SCHEMBL4094745 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4094698 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4091369 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4084158 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4094751 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4091361 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL13708528 0.91 IRAK4 (0.42) IRAK4MAPK14
SCHEMBL4098904 0.91 IRAK4 (0.40) IRAK4ATRCHRNB2CHRNA4CCNT1
SCHEMBL4090691 0.88 MAPK14 (0.43) MAPK14

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 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 IRAK4 250/4885ATR 924/4885CHRNB2 1720/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IRAK4 336/4885ATR 1082/4885CHRNB2 1652/4885

“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.