SCHEMBL16625250

SCHEMBL16625250

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(=O)N4CC(N(C)C)C4)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.52
PARP1 P09874 2/20 0.43
EGLN1 Q9GZT9 3/20 0.40
PDK2 Q15119 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
HTR7 P34969 1/20 0.37
MAP4K1 Q92918 1/20 0.37
PAX8 Q06710 1/20 0.36
JAK1 P23458 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL16625245 0.86 TNKS (0.67) TNKSPARP1JAK1
SCHEMBL16625238 0.82 TNKS (0.74) TNKSPARP1
SCHEMBL16625248 0.81 TNKS (0.54) TNKSPARP1EGLN1
SCHEMBL16625240 0.78 TNKS (0.61) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625242 0.78 TNKS (0.53) TNKSPARP1EGLN1TLR9TLR8
SCHEMBL16625251 0.78 TNKS (0.57) TNKSPARP1EGLN1TLR9TLR8
SCHEMBL16625338 0.78 TNKS (0.52) TNKSPARP1
SCHEMBL16625259 0.77 TNKS (0.47) TNKSPARP1
SCHEMBL16625332 0.77 USP30 (0.59) TNKS
SCHEMBL16625170 0.76 TNKS (0.68) TNKSPARP1L3MBTL3TLR9TLR8

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 1/4885PARP1 4/4885EGLN1 513/4885

“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.