SCHEMBL16625348

SCHEMBL16625348

CN(C)Cc1ccc(-c2cc3ccccc3c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 10/20 1.00
PARP1 P09874 2/20 0.68
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
TTK P33981 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
APAF1 O14727 1/20 0.43
CASP3 P42574 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
SCHEMBL16578790 0.81 TNKS (0.68) TNKSPARP1KDM4EGAANPC1
SCHEMBL15567627 0.81 TNKS (0.68) TNKSPARP1KDM4EGAANPC1
SCHEMBL16625107 0.81 TNKS (1.00) TNKSPARP1
SCHEMBL16625110 0.80 TNKS (0.75) TNKSPARP1
SCHEMBL16625106 0.80 TNKS (1.00) TNKSPARP1TAAR1AURKBINCENP
SCHEMBL16625109 0.80 TNKS (1.00) TNKSPARP1
SCHEMBL4766648 0.80 TNKS (0.66) TNKSPARP1KDM4EGAANPC1
SCHEMBL28924699 0.79 TNKS (0.65) TNKSPARP1KDM4EGAANPC1
SCHEMBL30161077 0.79 TNKS (0.65) TNKSPARP1KDM4EGAANPC1
SCHEMBL828493 0.78 TNKS (0.63) TNKSPARP1KDM4EGAANPC1

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 4/4885KDM4E 1190/4885

“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.