SCHEMBL16625285

SCHEMBL16625285

CC(C)(C)[Si](OC1CCN(Cc2ccc(-c3cc4c(C5CC5)cccc4c(=O)[nH]3)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.50
PARP1 P09874 3/20 0.50
HTR2A P28223 1/20 0.37
KDR P35968 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
BTK Q06187 2/20 0.36
HTR2B P41595 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL16616797 0.90 TNKS (0.63) TNKSPARP1KDROPRM1OPRK1
SCHEMBL16625287 0.82 TNKS (0.61) TNKSPARP1
SCHEMBL16625126 0.80 TNKS (0.72) TNKSPARP1BTK
SCHEMBL16625118 0.79 TNKS (0.74) TNKSPARP1BTK
SCHEMBL16625119 0.77 TNKS (0.52) TNKSPARP1
SCHEMBL16625342 0.75 TNKS (0.57) TNKSPARP1KDRDRD2DRD4
SCHEMBL16625288 0.73 TNKS (0.57) TNKSPARP1
SCHEMBL18156435 0.72 TNKS (0.63) TNKSPARP1HTR2AKDROPRM1
SCHEMBL16625286 0.70 TNKS (0.47) TNKSPARP1BTK
SCHEMBL18156517 0.70 HRH3 (0.58) OPRM1DRD4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PARP1 4/4885HTR2A 693/4885

“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.