SCHEMBL1216151

SCHEMBL1216151

CCOC(=O)c1sc2ccncc2c1Nc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.44
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
DHODH Q02127 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1216500 0.92 MAP2K1 (0.44) MAP2K1DYRK1ADYRK1BKDM4EMAPT
SCHEMBL1217348 0.88 MAP2K1 (0.47) MAP2K1KDM4EDHODHGAAALDH1A1
SCHEMBL1217620 0.87 KDM4E (0.39) MAP2K1KDM4EMAPTDHODHNPSR1
SCHEMBL4000893 0.86 GAA (0.44) MAP2K1DYRK1AGAAALDH1A1LMNA
SCHEMBL1218574 0.80 MAP2K1 (0.47) MAP2K1KDM4EDHODHGAAALDH1A1
SCHEMBL2567659 0.80 MAP2K1 (0.53) MAP2K1KDM4EALDH1A1TSHRALOX5
SCHEMBL1919962 0.79 MAP2K1 (0.47) MAP2K1MAPTGAATHRBNPC1
SCHEMBL2562177 0.78 BRAF (0.61) MAP2K1ALDH1A1ALOX5LMNASMN1; SMN2
SCHEMBL4003188 0.77 GAA (0.44) MAP2K1KDM4EGAAALDH1A1GLA
SCHEMBL1217020 0.77 MAP2K1 (0.56) MAP2K1

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 MAP2K1 38/4885DYRK1A 2199/4885DYRK1B 1974/4885

“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.