SCHEMBL25889653

SCHEMBL25889653

Cc1cc2ncc(CN3CCN(c4ncc(F)cc4F)CC3)cc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.57
PARP2 Q9UGN5 4/20 0.57
TNK2 Q07912 1/20 0.52
TNK1 Q13470 1/20 0.52

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
SCHEMBL26152831 0.89 PARP1 (0.72) PARP1PARP2
SCHEMBL25889656 0.88 PARP1 (0.60) PARP1PARP2TNK2TNK1
SCHEMBL25889859 0.83 PARP1 (0.62) PARP1PARP2
SCHEMBL25605346 0.80 PARP1 (0.59) PARP1PARP2
SCHEMBL25889585 0.79 PARP1 (0.58) PARP1PARP2
SCHEMBL25889855 0.79 PARP1 (0.65) PARP1PARP2
SCHEMBL25919221 0.79 PARP1 (0.56) PARP1PARP2
SCHEMBL25889854 0.79 PARP1 (0.69) PARP1PARP2
SCHEMBL30414729 0.78 PARP1 (0.47) PARP1PARP2TNK2TNK1
SCHEMBL25919915 0.78 PARP1 (0.61) PARP1PARP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
WO-2023141290-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-07-27 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-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PARP1 1/4885PARP2 5/4885TNK2 514/4885

“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.