SCHEMBL4100223

SCHEMBL4100223

Nc1ncc(-c2cccc(C(F)(F)F)c2)c(NCCCN2CC=NC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SYK P43405 1/20 0.39
DRD2 P14416 5/20 0.39
ADRA1A P35348 5/20 0.39
DRD3 P35462 5/20 0.39
HRH4 Q9H3N8 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.38
ACP1 P24666 1/20 0.38
DHFR P00374 2/20 0.38
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
FYN P06241 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL4112730 0.89 ADORA2A (0.50) ADORA2AADORA1SYKDRD2ADRA1A
SCHEMBL4112895 0.88 DHFR (0.41) SYKIRAK4ACP1DHFRIRAK1
SCHEMBL4101832 0.87 ADORA2A (0.50) ADORA2AADORA1SYKDRD2ADRA1A
SCHEMBL4106600 0.86 IRAK4 (0.42) IRAK4ACP1DHFRIRAK1
SCHEMBL4113293 0.86 ACP1 (0.51) ADORA2AADORA1DRD2ADRA1ADRD3
SCHEMBL4115440 0.86 DHFR (0.46) ADORA2AADORA1SYKHRH4IRAK4
SCHEMBL4112885 0.86 ADORA1 (0.44) ADORA1IRAK4ACP1IRAK1
SCHEMBL4087800 0.85 ADORA2A (0.46) ADORA2AADORA1SYKDRD2ADRA1A
SCHEMBL4112833 0.84 ADORA2A (0.47) ADORA2AADORA1SYKDRD2ADRA1A
SCHEMBL4118619 0.84 IRAK4 (0.42) IRAK4DHFRIRAK1

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 ADORA2A 341/4885ADORA1 303/4885SYK 1189/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ADORA2A 341/4885ADORA1 303/4885SYK 1189/4885

“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.