SCHEMBL13620183

SCHEMBL13620183

COc1ccc(Br)cc1Cn1c(=O)[nH]c2cnc(NC[C@H]3CNCCN3)nc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
MAP3K11 Q16584 1/20 0.34
ADORA2A P29274 6/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKDC P78527 1/20 0.33
ADORA1 P30542 4/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR3A P46098 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
SCHEMBL13620274 0.80 MEN1 (0.36) MTORMEN1KMT2ARXFP1KDM4E
SCHEMBL13620489 0.79 MAPT (0.41) MTORMEN1KMT2ARXFP1KDM4E
SCHEMBL13608264 0.79 KDM1A (0.39) MTORMAP3K11ADORA2APRKDCADORA1
SCHEMBL3848468 0.79 MCHR1 (0.42)
SCHEMBL3848466 0.79 MCHR1 (0.42)
SCHEMBL13620036 0.78 MEN1 (0.39) MTORMEN1KMT2ARXFP1KDM4E
SCHEMBL13620215 0.78 MEN1 (0.39) MTORMEN1KMT2ARXFP1KDM4E
SCHEMBL13620418 0.77 KDM1A (0.40) MTORMAP3K11ADORA2APRKDCADORA1
SCHEMBL13620497 0.77 MCHR1 (0.45)
SCHEMBL13608325 0.77 MTOR (0.47) MTORMEN1KMT2AADORA2AADORA1

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 MTOR 589/4885MEN1 3651/4885KMT2A 1404/4885

“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.