SCHEMBL16625236

SCHEMBL16625236

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(=O)N(C)C4CCNC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
TNKS O95271 8/20 0.46
SLC6A4 P31645 7/20 0.40
KCNH2 Q12809 5/20 0.39
PARP1 P09874 4/20 0.39
TNKS2 Q9H2K2 2/20 0.39
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 3/20 0.38
MAPK14 Q16539 1/20 0.36
CNR2 P34972 1/20 0.35
HTR2C P28335 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
SCHEMBL16625259 0.94 TNKS (0.47) MCHR1TNKSKCNH2PARP1TNKS2
SCHEMBL16625246 0.87 TNKS (0.52) MCHR1TNKSSLC6A4KCNH2PARP1
SCHEMBL16625251 0.85 TNKS (0.57) MCHR1TNKSPARP1TNKS2CNR2
SCHEMBL16625248 0.85 TNKS (0.54) MCHR1TNKSPARP1TNKS2CNR2
SCHEMBL16625242 0.83 TNKS (0.53) MCHR1TNKSPARP1TNKS2
SCHEMBL16625338 0.83 TNKS (0.52) MCHR1TNKSPARP1TNKS2CNR2
SCHEMBL16616482 0.81 TNKS (0.53) MCHR1TNKSPARP1TNKS2
SCHEMBL16625339 0.79 USP30 (0.51) TNKS
SCHEMBL16625332 0.78 USP30 (0.59) MCHR1TNKS
SCHEMBL16625250 0.76 TNKS (0.52) TNKSPARP1

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 MCHR1 4692/4885TNKS 1/4885SLC6A4 3892/4885

“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.