SCHEMBL26523318

SCHEMBL26523318

CC(=O)c1cccc2ncc(O)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
ALDH1A1 P00352 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KDR P35968 3/20 0.40
MAP4K4 O95819 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 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
SCHEMBL26523323 0.87 PARP1 (0.43) PARP1ALDH1A1KDRMAP4K4CSNK1G2
SCHEMBL24186148 0.85 ALDH1A1 (0.59) PARP1ALDH1A1PARP2KDM4E
SCHEMBL30379761 0.83 PARP1 (0.61) PARP1PARP2
SCHEMBL21638317 0.83 KDM4E (0.55) PARP1ALDH1A1KDM4EGAAKMT2A
SCHEMBL15228747 0.82 PARP1 (0.43) PARP1ALDH1A1PARP2KDRMAP4K4
SCHEMBL4480246 0.80 PARP1 (0.49) PARP1ALDH1A1PARP2KDM4EGAA
SCHEMBL31353202 0.78 PARP1 (0.59) PARP1ALDH1A1PARP2KDRMAP4K4
SCHEMBL26523348 0.77 ALDH1A1 (0.49) PARP1ALDH1A1KDM4EGAAPOLB
SCHEMBL94267 0.75 ALDH1A1 (0.70) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL23231735 0.75 MAPT (0.55) PARP1ALDH1A1KDM4EGAAPOLB

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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR PARP1 1472/4885ALDH1A1 2476/4885PARP2 2113/4885

“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.