SCHEMBL16625141

SCHEMBL16625141

O=c1[nH]c(-c2ccc(CN3CCNCC3)cc2)cc2c(F)cccc12

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.76
PARP1 P09874 4/20 0.60
CRBN Q96SW2 1/20 0.46
CXCR4 P61073 3/20 0.44
SIGMAR1 Q99720 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
SCHEMBL16625152 0.87 TNKS (0.78) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16625148 0.86 TNKS (0.64) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16616588 0.86 TNKS (1.00) TNKSPARP1CXCR4
SCHEMBL16625208 0.86 TNKS (0.76) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16625151 0.85 TNKS (0.78) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16625149 0.85 TNKS (0.61) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16569744 0.84 TNKS (0.72) TNKSPARP1CRBNCXCR4
SCHEMBL16616732 0.84 TNKS (0.72) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16625126 0.84 TNKS (0.72) TNKSPARP1CRBNCXCR4SIGMAR1
SCHEMBL16625137 0.83 TNKS (0.92) TNKSPARP1CXCR4

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 4/4885CRBN 2859/4885

“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.