SCHEMBL1217620

SCHEMBL1217620

CCOC(=O)c1sc2ccncc2c1Nc1ccc(SC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 2/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
BRAF P15056 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL1215968 0.87 MAP2K1 (0.38) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1216151 0.87 MAP2K1 (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1217348 0.87 MAP2K1 (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1219052 0.82 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL1921009 0.80 MAPT (0.42) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL2564946 0.80 MAP2K1 (0.51) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL1216500 0.79 MAP2K1 (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1218574 0.79 MAP2K1 (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL1218952 0.79 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL4981994 0.76 MAP2K1 (0.51) KDM4EALDH1A1GAALMNABRAF

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
EP-2069359-B1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-11-12 EP disclosed
EP-2069359-B1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-11-12 EP disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
EP-2069359-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
WO-2008024724-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 KDM4E 190/4885ALDH1A1 1154/4885HPGD 530/4885

“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.