SCHEMBL31031995

SCHEMBL31031995

NC(=O)c1cccnc1-c1ccc2ncncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
EGFR P00533 2/20 0.43
PARP1 P09874 3/20 0.41
TDO2 P48775 1/20 0.41
MCL1 Q07820 1/20 0.40
AR P10275 1/20 0.40
PDPK1 O15530 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MKNK2 Q9HBH9 4/20 0.39
MKNK1 Q9BUB5 3/20 0.39
FGFR4 P22455 1/20 0.39
SYK P43405 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLQ O75417 1/20 0.38
PLK4 O00444 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL31032103 0.85 NPC1 (0.57) EGFRPARP1MCL1ARNPC1
SCHEMBL19520186 0.79 PARP1 (0.47) PARP1NPC1RAB9AMKNK2MKNK1
SCHEMBL31032076 0.78 PARP1 (0.44) PARP1MCL1ARSYK
SCHEMBL31032063 0.78 PARP1 (0.51) EGFRPARP1MKNK2KMT2APLK4
SCHEMBL31032045 0.77 PARP1 (0.50) EGFRPARP1MCL1NPC1POLB
SCHEMBL30108283 0.77 PARP1 (0.50) EGFRPARP1MCL1NPC1POLB
SCHEMBL4936429 0.77 PARP1 (0.50) EGFRPARP1MCL1NPC1POLB
SCHEMBL27893740 0.75 PIK3CD (0.54) PIK3CDPIK3CAEGFRTDO2AR
SCHEMBL30627398 0.74 TGFBR1 (0.50) PARP1ARSYKPLK4MAP4K4
SCHEMBL7572389 0.74 TGFBR1 (0.50) PARP1ARSYKPLK4MAP4K4

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-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 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-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB PIK3CD 116/4885PIK3CA 189/4885EGFR 3670/4885

“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.