SCHEMBL17829612

SCHEMBL17829612

Cc1cccc2c(=O)[nH]c(Cl)nc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.70
TNKS O95271 12/20 0.64
TNKS2 Q9H2K2 12/20 0.64
PARP2 Q9UGN5 6/20 0.64
PARP14 Q460N5 2/20 0.51
PARP11 Q9NR21 1/20 0.51

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
SCHEMBL1387263 0.82 PARP1 (1.00) PARP1TNKSTNKS2PARP2
SCHEMBL31208012 0.82 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL3423935 0.82 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL28763423 0.79 PARP1 (0.66) PARP1TNKSTNKS2PARP2
SCHEMBL9671521 0.79 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL4313736 0.79 PARP1 (0.70) PARP1TNKSTNKS2PARP2
SCHEMBL15228758 0.79 PARP1 (0.49) PARP1TNKSTNKS2PARP2
SCHEMBL577862 0.79 PARP1 (0.51) PARP1TNKSTNKS2PARP2
SCHEMBL21072769 0.79 PARP1 (0.70) PARP1TNKSTNKS2PARP2PARP14
SCHEMBL3423314 0.79 TNKS (0.67) PARP1TNKSTNKS2PARP2PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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 (3 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 PARP1 2477/4885TNKS 1771/4885TNKS2 2811/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 PARP1 1705/4885TNKS 3604/4885TNKS2 3815/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 PARP1 1906/4885TNKS 3690/4885TNKS2 3829/4885

“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.