SCHEMBL1710539

SCHEMBL1710539

CC(C)(CO[Si](C)(C)C(C)(C)C)Cn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
PSMB1 P20618 2/20 0.34
PSMB5 P28074 2/20 0.34
TNF P01375 7/20 0.33
GRM2 Q14416 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
HTR7 P34969 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22128373 0.82 HTR7 (0.45) DUTHTR2AHTR2CHTR7
SCHEMBL2392560 0.81 TNF (0.39) PSMB1PSMB5TNFMCL1KDM4E
SCHEMBL1710275 0.80 PSMB1 (0.40) PSMB1PSMB5TNFGRM2MCL1
SCHEMBL20786907 0.80 HTR7 (0.42) PSMB1PSMB5TNFGRM2MCL1
SCHEMBL1710500 0.78 MCL1 (0.35) PSMB1PSMB5MCL1LMNA
SCHEMBL1500330 0.77 PSMB1 (0.42) PSMB1PSMB5TNFGRM2MCL1
SCHEMBL22128294 0.76 HTR6 (0.34)
SCHEMBL22128209 0.74 KRAS (0.35)
SCHEMBL22128174 0.74 CNR1 (0.30)
SCHEMBL22128290 0.74 ALDH1A1 (0.34) POLBLMNASMN1; SMN2L3MBTL1

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 DUT 1059/4885PSMB1 3437/4885PSMB5 1247/4885

“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.