SCHEMBL1710295

SCHEMBL1710295

CC(=O)OCC(C)(C)Cn1cc(C=O)c2cc(Br)ccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MCL1 Q07820 1/20 0.35
KRAS P01116 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
GSK3B P49841 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
MAPK8 P45983 1/20 0.31
PTPN1 P18031 1/20 0.30
GAA P10253 1/20 0.30
PSMB1 P20618 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
SCHEMBL1710236 0.91 ALDH1A1 (0.35) ALDH1A1LMNAMCL1KRASSMN1; SMN2
SCHEMBL1710390 0.84 KRAS (0.35) LMNAMCL1KRASSMN1; SMN2PTGDR2
SCHEMBL1710361 0.82 KRAS (0.35) ALDH1A1LMNAMCL1KRASEGLN1
SCHEMBL1710413 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMCL1KRASSMN1; SMN2
SCHEMBL12284876 0.70 MAPK8 (0.54) ALDH1A1LMNASMN1; SMN2MAPK8
SCHEMBL2420795 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMAPK8GAA
SCHEMBL22128290 0.69 ALDH1A1 (0.34) ALDH1A1LMNAKRASSMN1; SMN2MAPT
SCHEMBL2423167 0.69 MAPK8 (0.39) MCL1KRASMAPTMAPK8PTPN1
SCHEMBL1710381 0.69 ALDH1A1 (0.37) ALDH1A1LMNAMCL1KRASSMN1; SMN2
SCHEMBL2392560 0.68 TNF (0.39) LMNAMCL1SMN1; SMN2GAAPSMB1

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 ALDH1A1 121/4885LMNA 1339/4885MCL1 294/4885

“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.