SCHEMBL2285690

SCHEMBL2285690

Cc1nc(C#N)nc(NCC(F)(F)F)c1I

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.35
TLR8 Q9NR97 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2283184 0.74 TLR8 (0.35) TLR8
SCHEMBL2288052 0.73 TLR8 (0.34) TLR8
SCHEMBL27743731 0.71 TLR8 (0.33) TLR8
SCHEMBL2286205 0.67 TLR8 (0.33) TLR8
SCHEMBL2286212 0.66 TLR8 (0.32) TLR8
SCHEMBL27764557 0.59 MBOAT4 (0.30) MBOAT4
SCHEMBL15268328 0.59 HTT (0.39)
SCHEMBL6128041 0.58 TLR8 (0.70) TLR8
SCHEMBL4766382 0.58 CSNK1A1 (0.46) MBOAT4CTSSCTSK
SCHEMBL8242618 0.56 IRAK4 (0.35) MBOAT4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201496-A1 Substituted 5-Hetaryl-4-Aminopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
EP-2001298-A2 SUBSTITUTED 5-HETARYL-4-AMINOPYRIMIDINES BASF SE (DE) 2008-12-17 EP disclosed
WO-2007110418-A2 SUBSTITUTED 5-HETARYL-4-AMINOPYRIMIDINES BASF SE (DE) 2007-10-04 WO 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 (1 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-20110201496-A1 Substituted 5-Hetaryl-4-Aminopyrimidines CBR3, CBR1, CYC1 MBOAT4 4638/4885TLR8 1853/4885CTSS 4375/4885

“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.