SCHEMBL4094440

SCHEMBL4094440

C[C@H](Nc1cc(-c2cc3nccn3c(N3CC4CC3CN4)n2)ccn1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
PRKD1 Q15139 6/20 0.34
PRKD2 Q9BZL6 3/20 0.34
ATR Q13535 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HIF1A Q16665 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL4098904 0.96 IRAK4 (0.40) MAPK14IRAK4ATRCCNT1CDK9
SCHEMBL4094525 0.88 IRAK4 (0.41) MAPK14IRAK4ATRCCNT1CDK9
SCHEMBL4098834 0.88 IRAK4 (0.41) MAPK14IRAK4ATRCCNT1CDK9
SCHEMBL4094751 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL4091369 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL4094745 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL4091361 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL13708528 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL4084158 0.87 IRAK4 (0.42) MAPK14IRAK4
SCHEMBL4094698 0.87 IRAK4 (0.42) MAPK14IRAK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 1220/4885IRAK4 250/4885PRKD1 176/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885IRAK4 336/4885PRKD1 230/4885

“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.