SCHEMBL13620049

SCHEMBL13620049

C#Cc1ccc(OC(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@H]4CC[C@@H](O)CC4)nc32)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.37
ADRA2A P08913 5/20 0.37
NPY5R Q15761 5/20 0.37
PRKCQ Q04759 2/20 0.36
PRKDC P78527 1/20 0.35
VNN1 O95497 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
USP1 O94782 1/20 0.33
CSNK2A1 P68400 1/20 0.33
BRD4 O60885 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
MERTK Q12866 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
GRIN2B Q13224 1/20 0.32
MAP3K11 Q16584 1/20 0.32

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
SCHEMBL13620282 0.90 KDM1A (0.38) MCHR1ADRA2ANPY5RPRKCQADORA2A
SCHEMBL13620258 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620269 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620490 0.89 DDR1 (0.41) MCHR1ADRA2ANPY5RPRKCQ
SCHEMBL13620046 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620385 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620203 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620379 0.84 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQPRKDC
SCHEMBL13620375 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQADORA2A
SCHEMBL13620496 0.83 PRKCQ (0.38) MCHR1ADRA2ANPY5RPRKCQPRKDC

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 MCHR1 3804/4885ADRA2A 461/4885NPY5R 3514/4885

“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.