SCHEMBL16625305

SCHEMBL16625305

CN1CCC(N(C)C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
CCR5 P51681 1/20 0.41
PDK2 Q15119 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BRD4 O60885 1/20 0.39
TAF1 P21675 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL16625307 0.93 MCHR1 (0.52) MCHR1CCR5HRH3USP30
SCHEMBL28511552 0.90 P4HB (0.42) ALDH1A1PDK2
SCHEMBL16625306 0.88 MCHR1 (0.42) MCHR1ALDH1A1CCR5HRH3USP30
SCHEMBL16625313 0.87 HRH3 (0.47) MCHR1ALDH1A1JAK1CCR5PDK2
SCHEMBL16625315 0.86 MCHR1 (0.45) MCHR1ALDH1A1HRH3USP30
SCHEMBL28906215 0.84 HSD11B1 (0.43) ALDH1A1JAK2JAK1PDK2USP30
SCHEMBL28499994 0.84 HSD11B1 (0.43) ALDH1A1JAK2JAK1PDK2USP30
SCHEMBL28499992 0.84 HSD11B1 (0.43) ALDH1A1JAK2JAK1PDK2USP30
SCHEMBL16625316 0.82 USP30 (0.57) USP30
SCHEMBL16625311 0.82 LIMK2 (0.41) MCHR1

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 5 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-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 MCHR1 4692/4885LMNA 641/4885ALDH1A1 1976/4885

“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.