SCHEMBL1218952

SCHEMBL1218952

C=COCCONC(=O)c1sc2ccncc2c1Nc1ccc(SC)cc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.41
PIM1 P11309 1/20 0.34
CAMK2B Q13554 1/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAP2K2 P36507 2/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL1219052 0.89 MAP2K1 (0.51) MAP2K1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1218544 0.88 MAP2K1 (0.54) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL1215968 0.81 MAP2K1 (0.38) MAP2K1MAP2K2NUDT1
SCHEMBL1921206 0.80 MAP2K1 (0.38) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL12883238 0.80 MAP2K1 (0.42) MAP2K1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL12883240 0.79 MAP2K1 (0.42) MAP2K1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1217620 0.79 KDM4E (0.39) MAP2K1MAP2K2
SCHEMBL1218322 0.76 MAP2K1 (0.68) MAP2K1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL1580281 0.76 MAP2K1 (0.62) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL1971020 0.75 CYP2C9 (0.62) MAP2K1PIM1CAMK2BCYP2C9CYP2C19

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 6 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
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
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

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 38/4885PIM1 528/4885CAMK2B 2100/4885

“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.