SCHEMBL1217348

SCHEMBL1217348

CCOC(=O)c1sc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.47
MAP2K2 P36507 5/20 0.47
PRKCZ Q05513 1/20 0.41
IARS2 Q9NSE4 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL1218574 0.92 MAP2K1 (0.47) MAP2K1MAP2K2PRKCZIARS2GABRA1
SCHEMBL1216151 0.88 MAP2K1 (0.44) MAP2K1KDM4EALDH1A1GLAGAA
SCHEMBL1217620 0.87 KDM4E (0.39) MAP2K1MAP2K2GABRA1GABRG2GABRB3
SCHEMBL3999168 0.86 MAP2K1 (0.49) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL1213955 0.85 MAP2K1 (0.48) MAP2K1MAP2K2GABRA1GABRG2GABRB3
SCHEMBL12883214 0.85 MAP2K1 (0.51) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL1216500 0.80 MAP2K1 (0.44) MAP2K1KDM4EALDH1A1GLAGAA
SCHEMBL14292898 0.80 MAP2K1 (0.47) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL1218322 0.80 MAP2K1 (0.68) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL1920810 0.80 MAP2K1 (0.50) MAP2K1MAP2K2PRKCZIARS2GABRA1

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 38/4885MAP2K2 37/4885PRKCZ 992/4885

“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.