SCHEMBL16627320

SCHEMBL16627320

Cc1cccc2c(=O)[nH]c(-c3ccc(S(=O)(=O)N(C)CCCC(C)(C)[Si](O)(c4ccccc4)c4ccccc4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.46
PARP1 P09874 3/20 0.46
HPGD P15428 3/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16625283 0.81 TNKS (0.50) TNKSPARP1HPGDKMT2AKDM4E
SCHEMBL16625186 0.80 TNKS (0.58) TNKSPARP1HPGDKMT2AKDM4E
SCHEMBL16625181 0.79 TNKS (0.63) TNKSPARP1HPGDKMT2A
SCHEMBL16625172 0.74 TNKS (0.64) TNKSPARP1
SCHEMBL18156238 0.72 CYP19A1 (0.46) KDM4EPOLBGAA
SCHEMBL16625179 0.72 TNKS (0.53) TNKSPARP1
SCHEMBL16625182 0.69 TNKS (0.53) TNKSPARP1
SCHEMBL16625175 0.69 TNKS (0.56) TNKSPARP1
SCHEMBL31014299 0.68 PARP1 (0.67) TNKSPARP1HPGDKDM4ECYP3A4
SCHEMBL15775395 0.68 PARP1 (0.67) TNKSPARP1HPGDKDM4ECYP3A4

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 3 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-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 4/4885HPGD 1082/4885

“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.