SCHEMBL13620489

SCHEMBL13620489

COc1ccc(Br)cc1Cn1c(=O)[nH]c2cnc(NCc3cn[nH]c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GFER P55789 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
USP1 O94782 3/20 0.39
MTOR P42345 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 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
SCHEMBL13620036 0.85 MEN1 (0.39) MAPTKDM4EGFERGAAMAPK1
SCHEMBL13620215 0.83 MEN1 (0.39) MAPTKDM4EGFERGAAMAPK1
SCHEMBL13620274 0.79 MEN1 (0.36) MAPTKDM4EGFERGAAMAPK1
SCHEMBL13620361 0.79 DDR1 (0.39) MEN1KMT2ARXFP1USP1ADORA3
SCHEMBL13620183 0.79 MTOR (0.36) MAPTKDM4EGFERGAAMAPK1
SCHEMBL13620486 0.77 DDR1 (0.39) USP1TLR7
SCHEMBL13620384 0.77 DDR1 (0.39) USP1TLR7
SCHEMBL13845184 0.77 DDR1 (0.45) MAPK1LMNAMEN1KMT2AUSP1
SCHEMBL13620040 0.76 DDR1 (0.38) USP1TLR7ADORA3
SCHEMBL13620047 0.76 DDR1 (0.37) USP1TLR7

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 MAPT 3754/4885KDM4E 1430/4885GFER 4824/4885

“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.