SCHEMBL13620377

SCHEMBL13620377

CN1CCN(Cc2cccc(CNc3ncc4[nH]c(=O)n(Cc5cc(Br)ccc5OC(F)(F)F)c4n3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 8/20 0.41
USP1 O94782 1/20 0.36
OPRM1 P35372 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
IL6 P05231 1/20 0.36
PARP1 P09874 1/20 0.36
FGFR1 P11362 1/20 0.34
JAK3 P52333 1/20 0.34
ENPP2 Q13822 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL13620040 0.87 DDR1 (0.38) DDR1USP1TLR7JAK3ADRA2A
SCHEMBL13620361 0.84 DDR1 (0.39) DDR1USP1JAK3ADRA2AMCHR1
SCHEMBL13620486 0.84 DDR1 (0.39) DDR1USP1TLR7JAK3ADRA2A
SCHEMBL13845184 0.83 DDR1 (0.45) DDR1USP1ADRA2AMCHR1
SCHEMBL13620384 0.83 DDR1 (0.39) DDR1USP1TLR7IL6ADRA2A
SCHEMBL13620047 0.82 DDR1 (0.37) DDR1USP1TLR7ADRA2AMCHR1
SCHEMBL13620270 0.82 MCHR1 (0.43) DDR1ADRA2AMCHR1
SCHEMBL13620495 0.81 DDR1 (0.38) DDR1USP1JAK3ADRA2AMCHR1
SCHEMBL13620197 0.79 DDR1 (0.41) DDR1USP1JAK3ADRA2AMCHR1
SCHEMBL13620058 0.79 DDR1 (0.39) DDR1TLR7JAK3ADRA2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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 (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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ DDR1 3201/4885USP1 3253/4885OPRM1 487/4885

“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.