SCHEMBL1710260

SCHEMBL1710260

O=c1[nH]cc(SSc2c[nH]c(=O)c3ccc(Br)cc23)c2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
CHEK1 O14757 5/20 0.45
PIM1 P11309 3/20 0.45
PIM3 Q86V86 3/20 0.45
FLT3 P36888 2/20 0.45
AKT1 P31749 1/20 0.45
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL17981305 0.79 CHEK1 (0.49) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL22322711 0.76 CHEK1 (0.47) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL2170877 0.76 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL15010561 0.76 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL1710408 0.76 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL1710385 0.76 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL31748732 0.76 GPR84 (0.56) CHEK1PIM1FLT3AURKADAPK3
SCHEMBL25150838 0.74 GPR84 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL3989074 0.73 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3
SCHEMBL22473899 0.73 CHEK1 (0.46) METAP2CHEK1PIM1PIM3FLT3

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 METAP2 4739/4885CHEK1 2894/4885PIM1 902/4885

“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.