SCHEMBL13620274

SCHEMBL13620274

COc1ccc(Br)cc1Cn1c(=O)[nH]c2cnc(NCC3N=CNC3C)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MTOR P42345 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
MAP3K11 Q16584 1/20 0.33
ADORA2A P29274 4/20 0.32
PRKDC P78527 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL13620183 0.80 MTOR (0.36) MEN1KMT2ARXFP1KDM4EMAPT
SCHEMBL13620489 0.79 MAPT (0.41) MEN1KMT2ARXFP1KDM4EMAPT
SCHEMBL13620036 0.79 MEN1 (0.39) MEN1KMT2ARXFP1KDM4EMAPT
SCHEMBL13620215 0.78 MEN1 (0.39) MEN1KMT2ARXFP1KDM4EMAPT
SCHEMBL13845184 0.74 DDR1 (0.45) MEN1KMT2AMAPK1LMNAUSP2
SCHEMBL13620375 0.74 MCHR1 (0.46) ADORA2AADORA1USP1
SCHEMBL13620269 0.74 MCHR1 (0.46) ADORA2APRKDCADORA1USP1
SCHEMBL13620258 0.74 MCHR1 (0.46) ADORA2APRKDCADORA1USP1
SCHEMBL13620497 0.74 MCHR1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13620270 0.74 MCHR1 (0.43)

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 MEN1 3651/4885KMT2A 1404/4885RXFP1 3288/4885

“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.