SCHEMBL16578887

SCHEMBL16578887

CC(C)(C)OC(=O)NCc1ccc(-c2cc3c(C#N)cccc3c(=O)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.44
▸ WDR77 Q9BQA1 4/20 0.44
▸ NSD2 O96028 1/20 0.43
▸ TNKS O95271 6/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ PARP1 P09874 3/20 0.42
▸ HPN P05981 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.39
▸ MYC P01106 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 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
SCHEMBL16569611 0.80 TNKS (0.52) NSD2TNKSPARP1TNKS2
SCHEMBL6959964 0.80 PTPN1 (0.57) NSD2HDAC1PTPN1L3MBTL1MYC
SCHEMBL16569747 0.78 TNKS (0.49) TNKSPARP1TNKS2
SCHEMBL17971373 0.77 TNKS (0.47) NSD2TNKSPARP1
SCHEMBL16569733 0.76 GPR119 (0.47) TNKSPARP1TNKS2
SCHEMBL16578839 0.76 TBK1 (0.49) NAMPTCTSSCTSK
SCHEMBL31699656 0.76 L3MBTL1 (0.47) HDAC1PARP1HPNL3MBTL1NAMPT
SCHEMBL19882200 0.76 TNKS (0.41) TNKSPARP1TNKS2
SCHEMBL16569813 0.75 PARP1 (0.47) TNKSPARP1TNKS2
SCHEMBL19882186 0.75 TNKS (0.40) TNKSPARP1TNKS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 — — EP disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed
WO-2015036759-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-03-19 — — WO 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-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 PRMT5 1506/4885WDR77 1560/4885NSD2 673/4885

“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.

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