SCHEMBL4100276

SCHEMBL4100276

Nc1ncc(-c2cccc(Cc3cc4ccccc4[nH]3)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.48
PIK3CG P48736 1/20 0.44
VCP P55072 1/20 0.42
IRAK1 P51617 1/20 0.42
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 5/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL4082906 0.87 VCP (0.54) IRAK4PIK3CGVCPIRAK1TP53
SCHEMBL4100258 0.82 IRAK4 (0.62) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL3971420 0.81 IRAK4 (0.58) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL4120931 0.80 IRAK4 (0.53) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL4107195 0.79 IRAK4 (0.57) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL3974107 0.79 IRAK4 (0.57) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL3978332 0.79 SMN1; SMN2 (0.59) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL4107181 0.79 HRH3 (0.48) IRAK4VCPACP1
SCHEMBL14556166 0.79 IRAK4 (0.56) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL4100647 0.79 IRAK4 (0.53) IRAK4PIK3CGIRAK1TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1916/4885PIK3CG 96/4885VCP 930/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885PIK3CG 96/4885VCP 930/4885

“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.