SCHEMBL2395944

SCHEMBL2395944

CN(C)CCNS(=O)(=O)c1cn(CC(C)(C)CO[Si](C)(C)C(C)(C)C)c(=O)c2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KLK7 P49862 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.31
NQO2 P16083 2/20 0.30
NQO1 P15559 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
KAT2B Q92831 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 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
SCHEMBL2395621 0.84 GAA (0.44) GAAPOLBPKMCYP2C9CYP2C19
SCHEMBL1710500 0.75 MCL1 (0.35)
SCHEMBL1725753 0.73 MAPT (0.35) GAAPOLBPKMTSHRALDH1A1
SCHEMBL2397981 0.73 MAPT (0.37) POLBSMN1; SMN2TSHRALDH1A1
SCHEMBL2392634 0.73 MAPT (0.37) POLBSMN1; SMN2TSHRALDH1A1
SCHEMBL1710539 0.73 DUT (0.36) POLBSMN1; SMN2
SCHEMBL2392517 0.72 RAB9A (0.38)
SCHEMBL2394672 0.72 MAPT (0.32)
SCHEMBL12259615 0.72 BRD4 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL12259614 0.72 BRD4 (0.43) SMN1; SMN2ALDH1A1

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
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
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 GAA 876/4885POLB 1234/4885PKM 1010/4885

“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.