SCHEMBL16625216

SCHEMBL16625216

Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3F)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.50
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
GAA P10253 1/20 0.44
PARP1 P09874 3/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
PLAUR Q03405 1/20 0.41

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
SCHEMBL16625217 0.89 TNKS (0.59) TNKSPARP1MGLLKMT2A
SCHEMBL16625171 0.85 TNKS (0.66) TNKSHPGDGAAPARP1PLAUR
SCHEMBL16625223 0.83 TNKS (0.70) TNKSALDH1A1GAAPARP1MGLL
SCHEMBL10194842 0.76 HPGD (0.71) HPGDALDH1A1GAARAB9AKDM4E
SCHEMBL16625167 0.73 TNKS (0.73) TNKSPARP1
SCHEMBL6685720 0.71 PARP1 (0.63) HPGDPARP1KMT2A
SCHEMBL13616256 0.71 HPGD (0.67) HPGDALDH1A1GAAKDM4EL3MBTL1
SCHEMBL16625169 0.70 TNKS (0.57) TNKSPARP1L3MBTL1
SCHEMBL16625170 0.69 TNKS (0.68) TNKSPARP1L3MBTL1
SCHEMBL12311738 0.69 HPGD (0.77) HPGDALDH1A1GAARAB9AKDM4E

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 1/4885HPGD 1082/4885ALDH1A1 1976/4885

“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.