SCHEMBL2063500

SCHEMBL2063500

COC(=O)c1sc2ccc(Cl)cc2c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 5/20 0.64
HSD17B10 Q99714 4/20 0.64
GLA P06280 3/20 0.64
MAPT P10636 3/20 0.64
ALOX15 P16050 3/20 0.64
GAA P10253 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
CASP1 P29466 1/20 0.55
HTT P42858 1/20 0.55
CASP7 P55210 1/20 0.55
NCOA1 Q15788 1/20 0.55
RCE1 Q9Y256 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51

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
SCHEMBL31015931 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8142110 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL8141564 0.85 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL19024706 0.85 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10481468 0.84 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL17149279 0.84 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL16096207 0.84 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL31519888 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2063949 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL19283497 0.82 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116390-A1 PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-06-29 WO disclosed
US-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-21 US disclosed
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 WO disclosed
WO-2017144341-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-31 WO disclosed
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-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2008-07-03 US 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

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-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 KDM4E 820/4885ALDH1A1 984/4885HPGD 1027/4885
US-20080161559-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 KDM4E 1232/4885ALDH1A1 1668/4885HPGD 1749/4885
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 KDM4E 1232/4885ALDH1A1 1668/4885HPGD 1749/4885
US-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 KDM4E 4066/4885ALDH1A1 91/4885HPGD 3708/4885

“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.