SCHEMBL13620496

SCHEMBL13620496

NCc1cccc(-c2ccc(OC(F)(F)F)c(Cn3c(=O)[nH]c4cnc(NC[C@H]5CC[C@H](O)CC5)nc43)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.38
AVPR1B P47901 1/20 0.38
MCHR1 Q99705 4/20 0.36
ADRA2A P08913 3/20 0.36
NPY5R Q15761 3/20 0.36
VCP P55072 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
USP1 O94782 3/20 0.34
MERTK Q12866 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PRKDC P78527 1/20 0.33
ABL1 P00519 1/20 0.33
MTOR P42345 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
SCHEMBL13620269 0.85 MCHR1 (0.46) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620490 0.85 DDR1 (0.41) PRKCQMCHR1ADRA2ANPY5R
SCHEMBL13620258 0.85 MCHR1 (0.46) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620049 0.83 MCHR1 (0.37) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL3845553 0.82 TRIM58 (0.40) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL3845548 0.82 TRIM58 (0.40) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620188 0.82 MCHR1 (0.46) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620262 0.82 PRKCQ (0.46) PRKCQ
SCHEMBL3847751 0.81 MCHR1 (0.37) PRKCQMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620203 0.81 MCHR1 (0.44) PRKCQMCHR1ADRA2ANPY5RUSP1

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 3/4885AVPR1B 3117/4885MCHR1 3804/4885

“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.