SCHEMBL3844908

SCHEMBL3844908

Nc1cnc(Cl)nc1NCc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.42
HDAC3 O15379 1/20 0.41
DHFR P00374 2/20 0.40
ABL1 P00519 2/20 0.39
SRC P12931 1/20 0.39
CD38 P28907 1/20 0.39
MAPK8 P45983 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL16797122 0.81 CD38 (0.40) PRKCQHDAC3DHFRABL1SRC
SCHEMBL3847319 0.80 PRKCQ (0.60) PRKCQMEN1KMT2ATSHRMAPT
SCHEMBL18918993 0.77 DHFR (0.43) PRKCQHDAC3DHFRCD38MEN1
SCHEMBL9738507 0.76 MEN1 (0.47) ABL1SRCADORA3ADORA1MEN1
SCHEMBL12069119 0.75 APP (0.55) EGFR
SCHEMBL13845150 0.74 MKNK1 (0.46) PRKCQHDAC3ABL1CHEK1IKBKB
SCHEMBL21214764 0.73 HPGD (0.45) PRKCQHDAC3CD38MEN1KMT2A
SCHEMBL25466388 0.73 CYP1A2 (0.54) DHFRMEN1KMT2ATP53TSHR
SCHEMBL30443473 0.73 CYP1A2 (0.54) DHFRMEN1KMT2ATP53TSHR
SCHEMBL1801013 0.72 LMNA (0.39) HDAC3MAPK8ADORA3ADORA1MEN1

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 5 patents. 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
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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 PRKCQ 3/4885HDAC3 2125/4885DHFR 3454/4885

“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.