SCHEMBL4113293

SCHEMBL4113293

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.51
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN1 Q05586 3/20 0.45
GRIN2B Q13224 3/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
DRD2 P14416 4/20 0.44
ADRA1A P35348 4/20 0.44
DRD3 P35462 4/20 0.44
HRH4 Q9H3N8 1/20 0.44
CNR2 P34972 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
KDM4E B2RXH2 2/20 0.41
DHFR P00374 2/20 0.41
HPGD P15428 1/20 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
SCHEMBL4101832 0.99 ADORA2A (0.50) ACP1ADORA2AADORA1CTSBCTSS
SCHEMBL4112833 0.91 ADORA2A (0.47) ACP1ADORA2AADORA1KCNH2GRIN1
SCHEMBL4112730 0.89 ADORA2A (0.50) ACP1ADORA2AADORA1DRD2ADRA1A
SCHEMBL4099481 0.87 ACP1 (0.53) ACP1ADORA2AADORA1KCNH2DRD2
SCHEMBL4087800 0.87 ADORA2A (0.46) ACP1ADORA2AADORA1KCNH2DRD2
SCHEMBL4078120 0.86 ACP1 (0.52) ACP1ADORA2AADORA1DRD2DRD3
SCHEMBL4100223 0.86 ADORA2A (0.47) ACP1ADORA2AADORA1DRD2ADRA1A
SCHEMBL4105149 0.85 ACP1 (0.52) ACP1IRAK4DHFR
SCHEMBL4074325 0.85 ADORA2A (0.46) ACP1ADORA2AADORA1GRIN1GRIN2B
SCHEMBL4108173 0.85 ACP1 (0.53) ACP1ADORA1IRAK4KDM4EALDH1A1

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 831/4885ADORA2A 341/4885ADORA1 303/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ACP1 831/4885ADORA2A 341/4885ADORA1 303/4885

“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.