SCHEMBL13608231

SCHEMBL13608231

Cc1ccc(Cl)cc1Cn1c(=O)[nH]c2cnc(NCC3CNC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.38
IDH1 O75874 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
DDR1 Q08345 5/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKDC P78527 1/20 0.35
USP1 O94782 4/20 0.35
RIPK2 O43353 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL13608260 0.93 BRD4 (0.42) ADORA3IDH1HSP90AA1HSP90B1TRAP1
SCHEMBL13608269 0.92 BRD4 (0.43) ADORA3USP1JAK2JAK1JAK3
SCHEMBL13608257 0.92 BRD4 (0.43) ADORA3USP1JAK2JAK1JAK3
SCHEMBL13608114 0.89 PRKCQ (0.46) DDR1MEN1KMT2APRKCQ
SCHEMBL13620280 0.86 HSP90AA1 (0.36) ADORA3IDH1HSP90AA1HSP90B1TRAP1
SCHEMBL13608142 0.84 KDM1A (0.44) IDH1HSP90AA1HSP90B1TRAP1DDR1
SCHEMBL13608322 0.83 HSP90AA1 (0.44) IDH1HSP90AA1HSP90B1TRAP1DDR1
SCHEMBL13608264 0.82 KDM1A (0.39) DDR1PRKDCJAK2JAK1JAK3
SCHEMBL13608341 0.82 KDM1A (0.44) DDR1MEN1ALDH1A1POLBKMT2A
SCHEMBL13608280 0.82 HSP90AA1 (0.41) ADORA3IDH1HSP90AA1HSP90B1TRAP1

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 ADORA3 1135/4885IDH1 2072/4885HSP90AA1 3427/4885

“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.