SCHEMBL2394437

SCHEMBL2394437

CC(C)(CO[Si](C)(C)C(C)(C)C)Cn1cc(SC2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.37
FPR2 P25090 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ALK Q9UM73 1/20 0.34
USP30 Q70CQ3 1/20 0.33
BACE1 P56817 2/20 0.33
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2395773 0.92
SCHEMBL2390183 0.80 TGM2 (0.36) KRASBACE1KDM4EMAPT
SCHEMBL2394070 0.79
SCHEMBL2394669 0.75 MAPT (0.33) KRASFPR2USP30MAPT
SCHEMBL12259615 0.74 BRD4 (0.43) KRASUSP30MAPTSMN1; SMN2
SCHEMBL12259614 0.74 BRD4 (0.43) KRASUSP30MAPTSMN1; SMN2
SCHEMBL12259616 0.73 RAB9A (0.37) MAPT
SCHEMBL1710500 0.72 MCL1 (0.35)
SCHEMBL1710416 0.72 KDM4E (0.43) FPR2IDO1TDO2ALKUSP30
SCHEMBL1722786 0.72 MAPK14 (0.40)

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 KRAS 383/4885FPR2 1636/4885IDO1 141/4885

“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.