SCHEMBL4113272

SCHEMBL4113272

Nc1ncc(-c2cccc(F)c2)c(NCCCN2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.44
ACP1 P24666 3/20 0.43
QPCT Q16769 1/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CCNT1 O60563 1/20 0.42
DHFR P00374 1/20 0.41
KDR P35968 3/20 0.41
FGFR1 P11362 2/20 0.41
PIK3CG P48736 1/20 0.40
PDE4B Q07343 3/20 0.40
PDE4D Q08499 1/20 0.40
IKBKB O14920 1/20 0.39
IRAK1 P51617 1/20 0.38
POLB P06746 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4107984 0.98 IRAK4 (0.47) IRAK4ACP1QPCTTLR8TLR7
SCHEMBL4113092 0.94 QPCT (0.41) IRAK4ACP1QPCTTLR8TLR7
SCHEMBL4109688 0.93 IRAK4 (0.43) IRAK4ACP1QPCTDHFRKDR
SCHEMBL4078120 0.91 ACP1 (0.52) IRAK4ACP1QPCTDHFRKDR
SCHEMBL4099481 0.90 ACP1 (0.53) IRAK4ACP1QPCTTLR8TLR7
SCHEMBL4112500 0.89 ACP1 (0.50) IRAK4ACP1QPCTDHFRKDR
SCHEMBL4110711 0.88 TLR8 (0.46) IRAK4ACP1TLR8TLR7KDR
SCHEMBL4107195 0.88 IRAK4 (0.57) IRAK4ACP1PIK3CGIRAK1POLB
SCHEMBL4105149 0.88 ACP1 (0.52) IRAK4ACP1QPCTDHFRKDR
SCHEMBL4112833 0.88 ADORA2A (0.47) IRAK4ACP1TLR8TLR7DHFR

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 IRAK4 1916/4885ACP1 831/4885QPCT 829/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885ACP1 831/4885QPCT 829/4885

“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.