SCHEMBL16625242

SCHEMBL16625242

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(=O)N(C)C4CCN(C)C4)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.53
MCHR1 Q99705 11/20 0.50
PARP1 P09874 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL16625338 0.95 TNKS (0.52) TNKSMCHR1PARP1HRH3TNKS2
SCHEMBL16625251 0.94 TNKS (0.57) TNKSMCHR1PARP1EGLN1TNKS2
SCHEMBL16625248 0.94 TNKS (0.54) TNKSMCHR1PARP1EGLN1TNKS2
SCHEMBL16625241 0.87 TNKS (0.57) TNKSMCHR1PARP1HRH3
SCHEMBL16625259 0.85 TNKS (0.47) TNKSMCHR1PARP1TNKS2
SCHEMBL16625332 0.85 USP30 (0.59) TNKSMCHR1
SCHEMBL16625254 0.85 TNKS (0.57) TNKSMCHR1PARP1TNKS2
SCHEMBL16625337 0.84 TNKS (0.53) TNKSMCHR1PARP1HRH3
SCHEMBL16625236 0.83 MCHR1 (0.47) TNKSMCHR1PARP1TNKS2
SCHEMBL16625339 0.83 USP30 (0.51) TNKS

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
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 TNKS 1/4885MCHR1 4692/4885PARP1 4/4885

“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.