SCHEMBL4084081

SCHEMBL4084081

c1ccc2c(CNc3cc(-c4cc5nccn5c(N5C[C@@H]6C[C@H]5CN6)n4)ccn3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 12/20 0.41
MAPK14 Q16539 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36
ATR Q13535 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
SCHEMBL4097183 1.00 IRAK4 (0.41) IRAK4MEN1KMT2AACHEMAPK14
SCHEMBL4084445 0.90 IRAK4 (0.40) IRAK4ATR
SCHEMBL13708602 0.90 IRAK4 (0.40) IRAK4ATR
SCHEMBL4084319 0.89 IRAK4 (0.42) IRAK4ACHEMAPK14MAOBHTR6
SCHEMBL4089120 0.89 IRAK4 (0.42) IRAK4ACHEMAPK14MAOBHTR6
SCHEMBL4095535 0.85 ACHE (0.42) MEN1KMT2AACHEMAPK14CYP3A4
SCHEMBL4091458 0.85 ACHE (0.42) MEN1KMT2AACHEMAPK14CYP3A4
SCHEMBL4090024 0.84 MAOB (0.44) IRAK4ACHEMAOBHTR6ATR
SCHEMBL4084142 0.84 CCNT1 (0.42) IRAK4MAPK14MAOBHTR6
SCHEMBL4094706 0.84 IRAK4 (0.41) IRAK4MAPK14PIK3CAPIK3CBATR

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 250/4885MEN1 255/4885KMT2A 2985/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 IRAK4 336/4885MEN1 344/4885KMT2A 3114/4885

“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.