SCHEMBL16625345

SCHEMBL16625345

CN1CCN(Cc2ccc(-c3cc4ccc(F)cc4c(=O)[nH]3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 1.00
PARP1 P09874 3/20 0.62
TNIK Q9UKE5 1/20 0.48
TNKS2 Q9H2K2 1/20 0.46
ADORA2B P29275 1/20 0.45
MPO P05164 1/20 0.45
CHKA P35790 3/20 0.44
GRM2 Q14416 1/20 0.44
HTR6 P50406 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 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
SCHEMBL16625202 0.84 TNKS (0.82) TNKSPARP1TNIKTNKS2ADORA2B
SCHEMBL16625150 0.83 TNKS (1.00) TNKSPARP1TNIKTNKS2ADORA2B
SCHEMBL16578846 0.83 TNKS (0.79) TNKSPARP1TNIKTNKS2ADORA2B
SCHEMBL16578842 0.80 TNKS (0.74) TNKSPARP1TNIKADORA2BCHKA
SCHEMBL16625111 0.76 TNKS (1.00) TNKSPARP1CHKA
SCHEMBL16625114 0.76 TNKS (0.80) TNKSPARP1CHKA
SCHEMBL16578959 0.76 TNKS (0.78) TNKSPARP1CHKA
SCHEMBL15567513 0.75 SMN1; SMN2 (0.61) TNKSPARP1TNKS2
SCHEMBL16569769 0.74 TNKS (0.75) TNKSPARP1CHKA
SCHEMBL15568364 0.74 TNKS (0.58) TNKSPARP1TNKS2

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 4/4885TNIK 22/4885

“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.