SCHEMBL3978332

SCHEMBL3978332

Nc1ncc(-c2cccc(Cl)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
IRAK4 Q9NWZ3 2/20 0.57
TP53 P04637 3/20 0.52
PIK3CG P48736 1/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
KDR P35968 1/20 0.49
IRAK1 P51617 1/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4107081 0.98 IRAK4 (0.60) SMN1; SMN2IRAK4TP53PIK3CGMAPT
SCHEMBL4118866 0.91 DHFR (0.50) SMN1; SMN2IRAK4TP53PIK3CGKDR
SCHEMBL3971420 0.90 IRAK4 (0.58) SMN1; SMN2IRAK4TP53PIK3CGMAPT
SCHEMBL4101836 0.89 FGFR1 (0.52) SMN1; SMN2IRAK4KDRDHFRADORA2A
SCHEMBL4100252 0.89 IRAK4 (0.49) SMN1; SMN2IRAK4KDRIRAK1DHFR
SCHEMBL4100258 0.89 IRAK4 (0.62) SMN1; SMN2IRAK4TP53PIK3CGMAPT
SCHEMBL4082424 0.88 IRAK4 (0.48) SMN1; SMN2IRAK4KDRIRAK1DHFR
SCHEMBL4107195 0.88 IRAK4 (0.57) SMN1; SMN2IRAK4TP53PIK3CGMAPT
SCHEMBL3974107 0.88 IRAK4 (0.57) SMN1; SMN2IRAK4TP53PIK3CGMAPT
SCHEMBL4107262 0.87 DHFR (0.50) SMN1; SMN2IRAK4KDRIRAK1DHFR

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 SMN1; SMN2 3836/4885IRAK4 1916/4885TP53 3067/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH SMN1; SMN2 3836/4885IRAK4 1916/4885TP53 3067/4885

“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.