SCHEMBL3849773

SCHEMBL3849773

Nc1cnc(NCC2CCN(C(=O)O)C2)nc1NCc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.41
MCHR1 Q99705 14/20 0.40
ADRA2A P08913 12/20 0.40
NPY5R Q15761 11/20 0.40
EPHX2 P34913 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2J2 P51589 1/20 0.33

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
SCHEMBL13608055 0.91 IDO1 (0.45) PRKCQMCHR1ADRA2ANPY5REPHX2
SCHEMBL3844891 0.88 PRKCQ (0.54) PRKCQCYP2C9
SCHEMBL3852089 0.86 PRKCQ (0.42) PRKCQCYP2C9
SCHEMBL13608057 0.80 PRKCQ (0.51) PRKCQCYP2C9
SCHEMBL3846914 0.79 MCHR1 (0.42) MCHR1ADRA2ANPY5REPHX2
SCHEMBL13608044 0.79 IDO1 (0.48) PRKCQ
SCHEMBL3843907 0.75 PRKCQ (0.56) PRKCQCYP2C9
SCHEMBL3849434 0.75 EPHX2 (0.44) PRKCQEPHX2HDAC3HDAC1HDAC2
SCHEMBL3845823 0.75 PRKCQ (0.41) PRKCQ
SCHEMBL3847762 0.74 GRIN2B (0.45)

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 PRKCQ 3/4885MCHR1 3804/4885ADRA2A 461/4885

“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.