SCHEMBL12883240

SCHEMBL12883240

CSc1ccc(Nc2c(C(=O)NOCCO)sc3ccncc23)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.42
MAP2K2 P36507 2/20 0.38
SMC2 O95347 1/20 0.38
EGFR P00533 1/20 0.38
CSNK2A2 P19784 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
GFER P55789 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.33
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12883238 0.90 MAP2K1 (0.42) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1219052 0.90 MAP2K1 (0.51) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL12883236 0.84 MAP2K1 (0.41) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14199376 0.82 MAP2K1 (0.64) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL12533872 0.81 MAP2K1 (0.42) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1218952 0.79 MAP2K1 (0.41) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1218322 0.78 MAP2K1 (0.68) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL14199381 0.75 MAP2K1 (0.54) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL12883203 0.75 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL1215968 0.73 MAP2K1 (0.38) MAP2K1MAP2K2KDM4EALDH1A1GLA

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-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 37/4885SMC2 1968/4885

“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.