SCHEMBL4084445

SCHEMBL4084445

Fc1ccccc1CNc1cc(-c2cc3nccn3c(N3C[C@@H]4C[C@H]3CN4)n2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
VCP P55072 1/20 0.34
PFKFB3 Q16875 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
NTRK1 P04629 1/20 0.32
MAP4K1 Q92918 1/20 0.32
CSNK1E P49674 2/20 0.32
ATR Q13535 1/20 0.32
MAP3K12 Q12852 1/20 0.32
BRAF P15056 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL13708602 1.00 IRAK4 (0.40) IRAK4CHRNB2CHRNA4VCPPFKFB3
SCHEMBL4084081 0.90 IRAK4 (0.41) IRAK4ATR
SCHEMBL4097183 0.90 IRAK4 (0.41) IRAK4ATR
SCHEMBL4084319 0.89 IRAK4 (0.42) IRAK4ROCK2ROCK1CCNT1CDK9
SCHEMBL4089120 0.89 IRAK4 (0.42) IRAK4ROCK2ROCK1CCNT1CDK9
SCHEMBL4084142 0.87 CCNT1 (0.42) IRAK4CHRNB2CHRNA4VCPCSNK1E
SCHEMBL4096043 0.86 CHRNA7 (0.38) VCPPFKFB3ATRCCNT1CDK9
SCHEMBL4095574 0.85 PFKFB3 (0.34) VCPPFKFB3ATRMAP3K12BRAF
SCHEMBL4094675 0.84 MAPK1 (0.34) VCPPFKFB3ATRMAP3K12CCNT1
SCHEMBL13708605 0.84 MAPK1 (0.34) VCPPFKFB3ATRMAP3K12CCNT1

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
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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-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 IRAK4 250/4885CHRNB2 1720/4885CHRNA4 1639/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IRAK4 336/4885CHRNB2 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.