SCHEMBL2063549

SCHEMBL2063549

COC(=O)c1sc(-c2ccccc2)c(Br)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 7/20 0.52
HPGD P15428 7/20 0.52
MAPT P10636 4/20 0.52
HSD17B10 Q99714 4/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX15 P16050 2/20 0.52
GLA P06280 2/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GRM6 O15303 1/20 0.52
GRM5 P41594 1/20 0.52
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL9031450 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL9827009 0.84 TRPM8 (0.51) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2060498 0.84 GRM6 (0.65) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL27592419 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2063437 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL9826174 0.78 PTPN1 (0.49) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL23447121 0.77 GRM6 (0.56) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3903415 0.77 PTPN1 (0.76) PTPRCPTPN2PTPN1
SCHEMBL27592498 0.76 GRM6 (0.49) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL9826124 0.75 TRPM8 (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148384-B2 8-bromo-2-[(3-hydroxyphenylamino)methyl]-3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-one; ischemia reperfusion injury, inflammatory disease, retroviral infections, ischemia reperfusion injury, myocardial infarction ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
WO-2008082840-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
WO-2008082839-A2 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161578-A1 8-bromo-2-[(3-hydroxyphenylamino)methyl]-3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-one; increasing cell death of cancer cells, limiting tumor growth, decreasing metastasis, and prolonging the survival of tumor-bearing animals ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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 (4 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR ALDH1A1 1266/4885KDM4E 1238/4885HPGD 3761/4885
US-20080161578-A1 8-bromo-2-[(3-hydroxyphenylamino)methyl]-3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-one; increasing cell death of cancer cells, limiting tumor growth, decreasing metastasis, and prolonging the survival of tumor-bearing animals PIM1, PIM2, PIM3 ALDH1A1 984/4885KDM4E 820/4885HPGD 1027/4885
US-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 ALDH1A1 1668/4885KDM4E 1232/4885HPGD 1749/4885
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 ALDH1A1 1668/4885KDM4E 1232/4885HPGD 1749/4885

“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.