SCHEMBL16625249

SCHEMBL16625249

Cc1ccc(F)c2c(=O)[nH]c(-c3ccc(C(=O)N4CCN(CCO)CC4)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TNKS O95271 5/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PARP1 P09874 5/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MET P08581 1/20 0.41
AKR1C3 P42330 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL16625237 0.89 TNKS (0.52) ALDH1A1POLBTNKSPARP1HRH4
SCHEMBL16625240 0.85 TNKS (0.61) ALDH1A1POLBTNKSTLR9TLR8
SCHEMBL18156508 0.84 KCNA5 (0.42) ALDH1A1TNKSPARP1KDM4E
SCHEMBL16625269 0.83 KMT2A (0.53) POLBTNKSPARP1HRH4
SCHEMBL16616731 0.82 TNKS (0.48) ALDH1A1POLBTNKSTLR9TLR8
SCHEMBL16625331 0.82 KCNA5 (0.40) ALDH1A1TNKSPARP1
SCHEMBL23302442 0.79 ACHE (0.47) PARP1
SCHEMBL29882297 0.77 SIGMAR1 (0.47) ALDH1A1PARP1KDM4E
SCHEMBL23302837 0.77 SIGMAR1 (0.47) ALDH1A1PARP1KDM4E
SCHEMBL16625272 0.75 TNKS (0.73) TNKSPARP1HRH4

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 ALDH1A1 1976/4885POLB 1000/4885TNKS 1/4885

“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.