SCHEMBL16578902

SCHEMBL16578902

CCc1nnc(N2CCN(Cc3ccc(-c4cc5c(C#N)cccc5c(=O)[nH]4)cc3)CC2)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 10/20 0.50
▸ PARP1 P09874 8/20 0.50
▸ HTR1A P08908 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ BTK Q06187 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ TNK1 Q13470 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL16578850 0.90 TNKS (0.54) TNKSPARP1HTR1ADRD2BTK
SCHEMBL16578849 0.88 TNKS (0.49) TNKSPARP1HTR1ADRD2BTK
SCHEMBL16578906 0.87 TNKS (0.51) TNKSPARP1HTR1ADRD2BTK
SCHEMBL16569773 0.81 TNKS (0.74) TNKSPARP1BTK
SCHEMBL16578863 0.79 TNKS (0.55) TNKSPARP1HTR1ADRD2BTK
SCHEMBL16569744 0.78 TNKS (0.72) TNKSPARP1CHEK1
SCHEMBL16569796 0.78 CDC7 (0.43) TNKSPARP1
SCHEMBL16578907 0.78 TNKS (0.68) TNKSPARP1BTK
SCHEMBL16578894 0.78 TNKS (0.43) TNKSPARP1HTR1ADRD2
SCHEMBL16578895 0.78 TNKS (0.47) TNKSPARP1HTR1ADRD2BTK

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 TNKS 1/4885PARP1 3/4885HTR1A 898/4885

“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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