SCHEMBL16625347

SCHEMBL16625347

CN1CCN(c2ccc(-c3cc4ccccc4c(=O)[nH]3)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 1.00
PARP1 P09874 1/20 0.52
HTR3A P46098 3/20 0.49
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
TDO2 P48775 1/20 0.45
FYN P06241 1/20 0.45
FGFR3 P22607 1/20 0.45
ACVR1B P36896 1/20 0.45
TGFBR1 P36897 1/20 0.45

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
SCHEMBL16625344 0.86 TNKS (1.00) TNKSPARP1HTR3A
SCHEMBL16625081 0.84 TNKS (1.00) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16617025 0.84 TNKS (1.00) TNKSPARP1TDO2FYN
SCHEMBL1483712 0.74 TNKS (0.59) TNKSTLR9TLR8TLR7TDO2
SCHEMBL1484208 0.74 TNKS (0.59) TNKSHTR3ATLR9TLR8TLR7
SCHEMBL1484608 0.74 TNKS (0.59) TNKSTLR9TLR8TLR7TDO2
SCHEMBL1483676 0.74 TNKS (0.58) TNKSHTR3ATLR9TLR8TLR7
SCHEMBL13577843 0.74 TNKS (0.58) TNKSHTR3ATLR9TLR8TLR7
SCHEMBL1423002 0.74 TNKS (0.58) TNKSHTR3ATLR9TLR8TLR7
SCHEMBL13577842 0.74 TNKS (0.58) TNKSHTR3ATLR9TLR8TLR7

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 4/4885HTR3A 951/4885

“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.