SCHEMBL4099481

SCHEMBL4099481

Nc1ncc(-c2cccc(F)c2)c(NCCCN2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.53
IRAK4 Q9NWZ3 1/20 0.45
DHFR P00374 1/20 0.43
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
QPCT Q16769 1/20 0.42
KCNH2 Q12809 2/20 0.41
MAP4K4 O95819 1/20 0.41
PIK3CG P48736 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CHRNA7 P36544 1/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41

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
SCHEMBL4078120 0.99 ACP1 (0.52) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4105149 0.98 ACP1 (0.52) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4112500 0.97 ACP1 (0.50) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4113272 0.90 IRAK4 (0.44) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4107195 0.90 IRAK4 (0.57) ACP1IRAK4PIK3CG
SCHEMBL4120078 0.89 QPCT (0.42) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4107984 0.88 IRAK4 (0.47) ACP1IRAK4DHFRFGFR1KDR
SCHEMBL4120168 0.88 IRAK4 (0.60) ACP1IRAK4DHFRPIK3CG
SCHEMBL4108173 0.88 ACP1 (0.53) ACP1IRAK4FGFR1KDRPIK3CG
SCHEMBL4113293 0.87 ACP1 (0.51) ACP1IRAK4DHFRKCNH2DRD2

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 ACP1 831/4885IRAK4 1916/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ACP1 831/4885IRAK4 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.