SCHEMBL4121062

SCHEMBL4121062

Nc1ncc(-c2cccc(-c3ccc4cc[nH]c4c3)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.56
IRAK1 P51617 2/20 0.49
PIK3CG P48736 1/20 0.47
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PIK3CA P42336 1/20 0.44
PRKCQ Q04759 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL4100647 0.89 IRAK4 (0.53) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4100258 0.87 IRAK4 (0.62) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4107081 0.85 IRAK4 (0.60) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4120168 0.85 IRAK4 (0.60) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4121742 0.85 IRAK4 (0.62) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL3977385 0.85 IRAK4 (0.60) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL3971420 0.84 IRAK4 (0.58) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4107372 0.84 IRAK4 (0.59) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4100655 0.84 IRAK4 (0.59) IRAK4IRAK1PIK3CGTP53ALOX15
SCHEMBL4120931 0.84 IRAK4 (0.53) IRAK4IRAK1PIK3CGTP53ALOX15

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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH IRAK4 1916/4885IRAK1 1856/4885PIK3CG 96/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885IRAK1 1856/4885PIK3CG 96/4885

“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.