SCHEMBL4113205

SCHEMBL4113205

Nc1ncc(-c2cccc(-c3nc4ccccc4s3)c2)c(NCCCN2CCNC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ILK Q13418 7/20 0.41
IRAK4 Q9NWZ3 8/20 0.40
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKB O14920 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4106379 0.95 ILK (0.44) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4100235 0.89 ILK (0.50) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4106612 0.88 ILK (0.49) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4117371 0.88 KDR (0.50) ILKIRAK4FGFR1KDRTEK
SCHEMBL4115565 0.88 RAB9A (0.43) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4101820 0.87 ILK (0.41) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4113127 0.87 RAB9A (0.41) ILKIRAK4MAPTNFKB1RAB9A
SCHEMBL4101188 0.87 ILK (0.52) ILKIRAK4MAPTRAB9AKDM4E
SCHEMBL3979571 0.84 DHFR (0.43) IRAK4FGFR1KDR
SCHEMBL4113121 0.84 RAB9A (0.41) ILKIRAK4MAPTNFKB1RAB9A

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 ILK 1640/4885IRAK4 1916/4885MAPT 3010/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ILK 1640/4885IRAK4 1916/4885MAPT 3010/4885

“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.