SCHEMBL4082906

SCHEMBL4082906

Nc1ncc(-c2cccc(-c3cc4ccccc4[nH]3)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.54
IRAK4 Q9NWZ3 3/20 0.53
PIK3CG P48736 1/20 0.47
IRAK1 P51617 1/20 0.46
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL4107181 0.92 HRH3 (0.48) VCPIRAK4ACP1
SCHEMBL4108114 0.91 HRH3 (0.50) VCPIRAK4ACP1
SCHEMBL4107222 0.91 VCP (0.53) VCPIRAK4
SCHEMBL4112193 0.91 VCP (0.49) VCPIRAK4
SCHEMBL4121589 0.89 VCP (0.41) VCPIRAK4IRAK1
SCHEMBL4108348 0.87 VCP (0.44) VCPIRAK4
SCHEMBL4100276 0.87 IRAK4 (0.48) VCPIRAK4PIK3CGIRAK1TP53
SCHEMBL4100258 0.86 IRAK4 (0.62) IRAK4PIK3CGIRAK1TP53ALOX15
SCHEMBL4101575 0.86 VCP (0.41) VCPIRAK4
SCHEMBL4120931 0.85 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP claimed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
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 VCP 930/4885IRAK4 1916/4885PIK3CG 96/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH VCP 930/4885IRAK4 1916/4885PIK3CG 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.