SCHEMBL16569764

SCHEMBL16569764

N#Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)N4CCNCC4)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.49
▸ RIPK1 Q13546 1/20 0.49
▸ TNKS O95271 3/20 0.46
▸ SIGMAR1 Q99720 1/20 0.43
▸ PARP1 P09874 4/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ OTUD7B Q6GQQ9 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
SCHEMBL16569733 0.84 GPR119 (0.47) MGLLTNKSPARP1
SCHEMBL16578834 0.83 PIM1 (0.61) TNKSPARP1CDC7PIM1CDK9
SCHEMBL16578729 0.82 TLR9 (0.46) MGLLTNKSPARP1
SCHEMBL16569744 0.80 TNKS (0.72) TNKSPARP1CDC7PIM1CDK9
SCHEMBL16569813 0.77 PARP1 (0.47) TNKSPARP1CDC7PIM1
SCHEMBL16578770 0.76 TNKS (0.58) TNKSPARP1CDC7PIM1CDK9
SCHEMBL16578768 0.76 TNKS (0.52) TNKSPARP1
SCHEMBL16578875 0.74 TNKS (0.44) TNKSPARP1CYP3A4
SCHEMBL16578853 0.74 TNKS (0.42) TNKSPARP1
SCHEMBL16625167 0.73 TNKS (0.73) RIPK1TNKSPARP1

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 11 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
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-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
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
EP-3044221-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2016-07-20 — — EP 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
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 MGLL 4657/4885RIPK1 170/4885TNKS 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.

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