SCHEMBL16625331

SCHEMBL16625331

Cc1ccc(F)c2c(=O)[nH]c(-c3ccc(C(=O)N4CCN(CCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.40
TNKS O95271 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
PARP1 P09874 4/20 0.37
MGLL Q99685 2/20 0.37
LDHA P00338 1/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 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
SCHEMBL16625329 0.88 TNKS (0.51) KCNA5TNKSMEN1KMT2ADRD3
SCHEMBL16625330 0.87 TNKS (0.43) KCNA5TNKSMEN1KMT2ADRD3
SCHEMBL18156508 0.84 KCNA5 (0.42) KCNA5TNKSMEN1KMT2ADRD3
SCHEMBL16625249 0.82 ALDH1A1 (0.45) TNKSPARP1ALDH1A1
SCHEMBL16625237 0.79 TNKS (0.52) TNKSMEN1KMT2APARP1ALDH1A1
SCHEMBL23302837 0.74 SIGMAR1 (0.47) KCNA5MEN1KMT2ADRD2PARP1
SCHEMBL29882297 0.74 SIGMAR1 (0.47) KCNA5MEN1KMT2ADRD2PARP1
SCHEMBL16625269 0.73 KMT2A (0.53) TNKSMEN1KMT2APARP1
SCHEMBL16625303 0.73 KCNA5 (0.50) KCNA5MEN1KMT2ADRD3DRD2
SCHEMBL16625165 0.73 TNKS (0.56) KCNA5TNKSKMT2ADRD3DRD2

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 KCNA5 3986/4885TNKS 1/4885MEN1 4679/4885

“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.