SCHEMBL4113121

SCHEMBL4113121

Nc1ncc(-c2cccc(-c3nc4ccccc4s3)c2)c(NCCCN2C=NCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
IRAK4 Q9NWZ3 9/20 0.40
ILK Q13418 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL4100235 0.87 ILK (0.50) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4106612 0.86 ILK (0.49) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4117371 0.86 KDR (0.50) IRAK4ILK
SCHEMBL4115565 0.85 RAB9A (0.43) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4101188 0.85 ILK (0.52) RAB9AMAPTKDM4EALDH1A1MEN1
SCHEMBL4106379 0.85 ILK (0.44) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4113127 0.85 RAB9A (0.41) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4113205 0.84 ILK (0.41) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4101820 0.84 ILK (0.41) RAB9AMAPTNFKB1NFKB2RELA
SCHEMBL4112021 0.84 DHFR (0.46) IRAK4

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 RAB9A 2610/4885MAPT 3010/4885NFKB1 1286/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH RAB9A 2610/4885MAPT 3010/4885NFKB1 1286/4885

“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.