SCHEMBL16625103

SCHEMBL16625103

O=c1[nH]c(-c2ccc(N3CCNCC3)nc2)cc2c(Cl)cccc12

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.79
CDC7 O00311 1/20 0.46
PIM1 P11309 1/20 0.46
CDK9 P50750 1/20 0.46
PARP1 P09874 2/20 0.46
GPR119 Q8TDV5 1/20 0.43
MELK Q14680 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NMT1 P30419 1/20 0.41
RET P07949 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
SCHEMBL16617025 0.88 TNKS (1.00) TNKSPARP1
SCHEMBL16625102 0.87 TNKS (0.80) TNKSPARP1GPR119
SCHEMBL16578770 0.84 TNKS (0.58) TNKSCDC7PIM1CDK9PARP1
SCHEMBL16625089 0.84 TNKS (0.77) TNKSCDK9PARP1
SCHEMBL16625085 0.84 TNKS (0.74) TNKSPARP1
SCHEMBL16625090 0.83 CDC7 (0.59) TNKSCDC7PIM1CDK9PARP1
SCHEMBL16625101 0.82 TNKS (0.55) TNKSCDC7PIM1CDK9
SCHEMBL16625096 0.81 TNKS (0.76) TNKSPARP1RET
SCHEMBL16625087 0.80 TNKS (0.68) TNKSPARP1
SCHEMBL16625200 0.80 TNKS (0.70) TNKSRET

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 1/4885CDC7 2037/4885PIM1 221/4885

“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.