SCHEMBL13620030

SCHEMBL13620030

Nc1cnc(NCC2CCCC2)cc1NCc1ccccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.49
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TACR1 P25103 1/20 0.38
GPR39 O43194 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
CYP2C9 P11712 2/20 0.36
EPHX2 P34913 2/20 0.36
CYP2J2 P51589 2/20 0.36
DCPS Q96C86 1/20 0.36
APP P05067 1/20 0.36
PRKCD Q05655 4/20 0.36
BDKRB1 P46663 1/20 0.36

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
SCHEMBL3849434 0.84 EPHX2 (0.44) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13608035 0.80 IDO1 (0.43) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846604 0.80 PRKCQ (0.60) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846480 0.80 PRKCQ (0.51) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846611 0.80 PRKCQ (0.60) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846606 0.79 PRKCQ (0.51) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13674957 0.76 PRKCQ (0.64) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846558 0.76 HDAC3 (0.43) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL13846554 0.75 PRKCQ (0.62) PRKCQHDAC3HDAC1HDAC2HDAC6
SCHEMBL3986930 0.75 PRKCQ (0.72) PRKCQCYP2C9PRKCD

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 3/4885HDAC3 2125/4885HDAC1 1563/4885

“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.