SCHEMBL13620361

SCHEMBL13620361

O=c1[nH]c2cnc(NCc3cc[nH]c3)nc2n1Cc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.39
MCHR1 Q99705 2/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP1 O94782 6/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 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
SCHEMBL13620486 0.89 DDR1 (0.39) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620384 0.89 DDR1 (0.39) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13845184 0.87 DDR1 (0.45) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620040 0.87 DDR1 (0.38) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620047 0.86 DDR1 (0.37) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620197 0.85 DDR1 (0.41) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620495 0.85 DDR1 (0.38) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620058 0.84 DDR1 (0.39) DDR1MCHR1ADRA2ANPY5RBRD4
SCHEMBL13620377 0.84 DDR1 (0.41) DDR1MCHR1ADRA2AUSP1JAK3
SCHEMBL13620258 0.82 MCHR1 (0.46) DDR1MCHR1ADRA2ANPY5RUSP1

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 3201/4885MCHR1 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.