SCHEMBL4113403

SCHEMBL4113403

Nc1ncc(-c2cccc(-c3cccc(Cl)c3)c2)c(NCCCN2CCNCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
IRAK4 Q9NWZ3 8/20 0.47
DHFR P00374 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
IRAK1 P51617 6/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LRRK2 Q5S007 1/20 0.40
FGFR1 P11362 2/20 0.40

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
SCHEMBL4121407 0.94 DHFR (0.44) KDRIRAK4DHFRSMN1; SMN2ADORA1
SCHEMBL4107698 0.93 DHFR (0.46) KDRIRAK4DHFRSMN1; SMN2ADORA1
SCHEMBL4100252 0.91 IRAK4 (0.49) KDRIRAK4DHFRSMN1; SMN2ADORA1
SCHEMBL4082424 0.90 IRAK4 (0.48) KDRIRAK4DHFRSMN1; SMN2ADORA1
SCHEMBL4118866 0.89 DHFR (0.50) KDRIRAK4DHFRSMN1; SMN2ADORA1
SCHEMBL4107081 0.89 IRAK4 (0.60) KDRIRAK4DHFRSMN1; SMN2IRAK1
SCHEMBL4107984 0.89 IRAK4 (0.47) KDRIRAK4DHFRIRAK1TLR8
SCHEMBL4107244 0.89 IRAK4 (0.47) KDRIRAK4DHFRIRAK1TLR8
SCHEMBL4107200 0.89 IRAK4 (0.49) KDRIRAK4ADORA1IRAK1TLR8
SCHEMBL4110576 0.87 DHFR (0.48) IRAK4DHFRSMN1; SMN2ADORA1ADORA2A

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 KDR 2801/4885IRAK4 1916/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH KDR 2801/4885IRAK4 1916/4885DHFR 1013/4885

“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.