SCHEMBL2393948

SCHEMBL2393948

CC(C)(CO[Si](C)(C)C(C)(C)C)Cn1cc(CN2CCN(CCCO)CC2)c2cc(Br)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HTR6 P50406 7/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.32
P4HB P07237 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR1A P08908 2/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL1710500 0.75 MCL1 (0.35)
SCHEMBL1724433 0.71 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL1710539 0.71 DUT (0.36) KDM4E
SCHEMBL22128294 0.70 HTR6 (0.34) HTR6
SCHEMBL1725753 0.70 MAPT (0.35) KDM4ERAB9AALDH1A1GAAMAPT
SCHEMBL2394513 0.70 VEGFA (0.39)
SCHEMBL2392828 0.69 MAPT (0.33) ALDH1A1MAPTRXFP1
SCHEMBL2394437 0.69 KRAS (0.37) KDM4EGAAMAPT
SCHEMBL2394672 0.69 MAPT (0.32) MAPT
SCHEMBL2395944 0.68 GAA (0.42) ALDH1A1GAAHPGDPDK1PDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 KDM4E 2182/4885HTR6 1358/4885RAB9A 1078/4885

“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.