SCHEMBL16625238

SCHEMBL16625238

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc12

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.74
PARP1 P09874 3/20 0.49
RIPK1 Q13546 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
POLB P06746 1/20 0.46
TNKS2 Q9H2K2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL16625270 0.90 TNKS (0.61) TNKSPARP1RIPK1HRH4POLB
SCHEMBL16625240 0.89 TNKS (0.61) TNKSPARP1POLBMEN1KMT2A
SCHEMBL16625267 0.85 TNKS (1.00) TNKSPARP1HRH4TNKS2
SCHEMBL16625167 0.85 TNKS (0.73) TNKSPARP1RIPK1POLB
SCHEMBL16625237 0.83 TNKS (0.52) TNKSPARP1RIPK1HRH4POLB
SCHEMBL16625250 0.82 TNKS (0.52) TNKSPARP1
SCHEMBL16625269 0.81 KMT2A (0.53) TNKSPARP1RIPK1HRH4POLB
SCHEMBL16625251 0.80 TNKS (0.57) TNKSPARP1TNKS2
SCHEMBL16625150 0.80 TNKS (1.00) TNKSPARP1TNKS2
SCHEMBL16625164 0.80 TNKS (0.60) TNKSPARP1RIPK1HRH4POLB

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 4/4885RIPK1 176/4885

“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.