SCHEMBL16625187

SCHEMBL16625187

O=c1[nH]c(-c2ccc(S(=O)(=O)N3CCNCC3)cc2)cc2c(Cl)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 6/20 0.54
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
KMT2A Q03164 1/20 0.51
MYLK Q15746 1/20 0.51
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
PMP22 Q01453 1/20 0.50
PARP1 P09874 3/20 0.45
PKM P14618 1/20 0.44
ROCK2 O75116 2/20 0.43
ULK1 O75385 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL16625185 0.88 TNKS (0.61) TNKSMAPTMAPK1MEN1KMT2A
SCHEMBL16625189 0.88 TNKS (0.65) TNKSMAPTPARP1PKMROCK2
SCHEMBL16625191 0.83 TNKS (0.57) TNKSMEN1KMT2ALMNAPARP1
SCHEMBL16625090 0.82 CDC7 (0.59) TNKSTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16625152 0.81 TNKS (0.78) TNKSPARP1
SCHEMBL16625199 0.79 TGM2 (0.48) TNKS
SCHEMBL16625184 0.76 TNKS (0.65) TNKSMEN1KMT2APARP1
SCHEMBL16625103 0.76 TNKS (0.79) TNKSPARP1
SCHEMBL16625180 0.74 TNKS (0.53) TNKSPARP1
SCHEMBL16625174 0.74 HTR2A (0.56) TNKSPARP1

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 TNKS 1/4885MAPT 2345/4885MAPK1 849/4885

“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.