SCHEMBL16625311

SCHEMBL16625311

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 2/20 0.41
TPSAB1 Q15661 1/20 0.38
MCHR1 Q99705 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
P4HB P07237 1/20 0.36
ACHE P22303 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35
ROCK1 Q13464 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
SCHEMBL16625310 0.94 MCHR1 (0.39) LIMK2TPSAB1MCHR1CA1CA2
SCHEMBL16625305 0.82 MCHR1 (0.43) MCHR1
SCHEMBL22858814 0.82 NSD2 (0.44) LIMK2CA1CA2CA9P4HB
SCHEMBL22922417 0.82 NSD2 (0.44) LIMK2CA1CA2CA9P4HB
SCHEMBL22858813 0.82 NSD2 (0.44) LIMK2CA1CA2CA9P4HB
SCHEMBL16625307 0.81 MCHR1 (0.52) MCHR1
SCHEMBL16625315 0.79 MCHR1 (0.45) MCHR1KMT2A
SCHEMBL21316016 0.77 MEN1 (0.43) CA1CA2CA9P4HBKMT2A
SCHEMBL16625306 0.75 MCHR1 (0.42) MCHR1CA1CA2CA9P4HB
SCHEMBL28512214 0.75 MEN1 (0.41) CA1CA2CA9P4HBKMT2A

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 LIMK2 99/4885TPSAB1 649/4885MCHR1 4692/4885

“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.