SCHEMBL688952

SCHEMBL688952

CCOC(=O)c1c(C(C)C)csc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
MAPK1 P28482 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
PRKCZ Q05513 9/20 0.56
MAPT P10636 6/20 0.56
HSD17B10 Q99714 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALOX15 P16050 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
HPGD P15428 3/20 0.55
GAA P10253 3/20 0.53
MPI P34949 1/20 0.53
USP2 O75604 1/20 0.53
KEAP1 Q14145 1/20 0.53
PRKCI P41743 2/20 0.51
FHIT P49789 1/20 0.49

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
SCHEMBL10714711 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL162443 0.80 ALDH1A1 (0.63) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL8197710 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL1796103 0.79 GRM6 (0.46) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL25802180 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL9097409 0.79 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL8907488 0.79 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL10532585 0.79 ALDH1A1 (0.75) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL4102678 0.79 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ
SCHEMBL16643764 0.78 ALDH1A1 (0.60) ALDH1A1MAPK1SMN1; SMN2POLBPRKCZ

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356164-A1 2-AMINOSELENOPHEN COMPOUNDS WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME ZHUHAI JINAN SELENIUM SOURCE NANOTECHNOLOGY CO., LTD. (CN) 2022-11-10 US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
EP-2066675-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES Wyeth (US) 2009-06-10 EP disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
EP-1937690-A1 THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-07-02 EP disclosed
WO-2008039414-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES WYETH (US) 2008-04-03 WO disclosed
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles WYETH 2008-03-27 US disclosed
US-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2007-04-12 US disclosed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP disclosed
EP-0609371-B1 THIENOPYRAZINE-2,3-DIONES USEFUL FOR TREATING CNS DISORDERS, AND THEIR PREPARATION. NOVO NORDISK AS (DK) 1996-04-24 EP disclosed
EP-0609371-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1994-08-10 EP disclosed
US-5284847-A Neurological and psychological disorders; antagonist at the glycine binding site on the N-methyl-D-aspartate receptor complex NOVO NORDISK A/S (DK) 1994-02-08 US disclosed
WO-1993008197-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-29 WO disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 EP 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-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles MAP4K2, MAP4K1, MAP4K3 ALDH1A1 3947/4885MAPK1 102/4885SMN1; SMN2 4367/4885
US-20220356164-A1 2-AMINOSELENOPHEN COMPOUNDS WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME SLC11A2, LSS, AASDHPPT ALDH1A1 2155/4885MAPK1 2588/4885SMN1; SMN2 4340/4885
US-20070082880-A1 Thieno [2,3-B] pyridine-5-carbonitriles as protein kinase inhibitors MAP4K2, CNKSR1, MAP3K1 ALDH1A1 2533/4885MAPK1 31/4885SMN1; SMN2 4165/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885MAPK1 1734/4885SMN1; SMN2 3942/4885

“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.