SCHEMBL16616731

SCHEMBL16616731

O=C(c1ccc(-c2cc3c(F)cc(F)cc3c(=O)[nH]2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.48
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 5/20 0.43
KCNH2 Q12809 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HTT P42858 1/20 0.40
MGLL Q99685 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL16625240 0.90 TNKS (0.61) TNKSALDH1A1POLBPARP1KCNH2
SCHEMBL16625270 0.88 TNKS (0.61) TNKSPOLBPARP1
SCHEMBL16625249 0.82 ALDH1A1 (0.45) TNKSALDH1A1POLBPARP1TLR9
SCHEMBL16625330 0.81 TNKS (0.43) TNKSPARP1KCNH2MGLL
SCHEMBL16625238 0.78 TNKS (0.74) TNKSALDH1A1POLBPARP1
SCHEMBL15268532 0.75 ALDH1A1 (0.45) ALDH1A1POLBPARP1TLR9TLR8
SCHEMBL16625202 0.74 TNKS (0.82) TNKSPARP1
SCHEMBL16625329 0.73 TNKS (0.51) TNKSPARP1KCNH2MGLL
SCHEMBL16625211 0.72 TNKS (0.58) TNKSPARP1
SCHEMBL16625269 0.72 KMT2A (0.53) TNKSPOLBPARP1

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 8 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
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-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
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 1/4885ALDH1A1 1976/4885POLB 1000/4885

“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.