SCHEMBL6605700

SCHEMBL6605700

O=c1[nH]cc(Cc2ccc(Br)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTR6 P50406 1/20 0.46
MET P08581 1/20 0.45
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
CYP3A4 P08684 1/20 0.41
AHR P35869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
VKORC1 Q9BQB6 1/20 0.40

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
SCHEMBL5223001 0.86 KMT2A (0.62) MEN1KMT2AHTR6METPARP1
SCHEMBL5216843 0.84 MEN1 (0.47) MEN1KMT2AHTR6METPARP1
SCHEMBL3157223 0.81 MET (0.53) MEN1KMT2AHTR6METPARP1
SCHEMBL28781646 0.80 MEN1 (0.74) MEN1KMT2AHTR6KDM4EMAPT
SCHEMBL6607081 0.79 KDM4E (0.49) MEN1KMT2AHTR6METPARP1
SCHEMBL5217356 0.77 DAO (0.45) MEN1KMT2AHTR6METPARP1
SCHEMBL31744825 0.75 MET (0.75) KMT2AHTR6METTSHRGPR84
SCHEMBL857436 0.75 MET (0.75) KMT2AHTR6METTSHRGPR84
SCHEMBL31744761 0.74 GPR84 (0.47) MEN1KMT2AHTR6METMAPT
SCHEMBL5215190 0.74 DAO (0.49) MEN1KMT2AMETPDE3BPDE3A

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
EP-1397350-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-03-17 EP disclosed
US-6664269-B2 Adminisetring isoquinolinone compounds for therapy of disease mediated by the enzyme poly(ADP- ribose)polymerase (\"PARP\") MAYBRIDGE PLC (GB) 2003-12-16 US disclosed
US-20030008896-A1 Isoquinolinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2003-01-09 US disclosed
WO-2002090334-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2002-11-14 WO 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-20030008896-A1 Isoquinolinone derivatives PARP1, PARP2, PARP3 MEN1 3883/4885KMT2A 1847/4885HTR6 1612/4885

“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.