SCHEMBL13620232

SCHEMBL13620232

COc1ccc(Br)cc1Cn1c(=O)[nH]c2ccc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
KDM1A O60341 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
MAP3K11 Q16584 1/20 0.36
PIM1 P11309 2/20 0.35
FLT3 P36888 2/20 0.35
KCNH2 Q12809 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13620236 0.82 PIM1 (0.42) KDM1ABRD4ATAD2PIM1FLT3
SCHEMBL13608282 0.81 BRD4 (0.42) MEN1KMT2ABRD4ATAD2PIM1
SCHEMBL13620392 0.80 DDR1 (0.42) PIM1FLT3KCNH2PIM3PIM2
SCHEMBL13608271 0.79 CCNT1 (0.39) KDM1ABRD4ATAD2
SCHEMBL13620507 0.78 PIM1 (0.38) BRD4ATAD2PIM1FLT3KCNH2
SCHEMBL13620277 0.78 PIM1 (0.42) BRD4PIM1FLT3KCNH2PIM3
SCHEMBL13608264 0.77 KDM1A (0.39) KDM1ABRD4ATAD2EHMT2MAP3K11
SCHEMBL3848466 0.77 MCHR1 (0.42) KDM1ABRD4ATAD2TDO2
SCHEMBL3848468 0.77 MCHR1 (0.42) KDM1ABRD4ATAD2TDO2
SCHEMBL13620505 0.76 ADORA2A (0.41) PIM1FLT3KCNH2PIM3PIM2

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 KDM4E 1430/4885LMNA 1375/4885GAA 3544/4885

“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.