SCHEMBL12023947

SCHEMBL12023947

COc1cccc(-c2nc3sccn3c2-c2ccnc(S(C)(=O)=O)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.78
EGFR P00533 1/20 0.78
CYP3A4 P08684 1/20 0.78
JAK3 P52333 1/20 0.78
MAPK10 P53779 1/20 0.78
KCNH2 Q12809 1/20 0.78
ERBB4 Q15303 1/20 0.78
RAF1 P04049 17/20 0.63
ABL1 P00519 2/20 0.59
FGFR1 P11362 2/20 0.59
FLT3 P36888 2/20 0.59
MAPK8 P45983 2/20 0.59
MAPK11 Q15759 2/20 0.59
MAPK14 Q16539 2/20 0.59
NTRK2 Q16620 2/20 0.59
HIPK1 Q86Z02 2/20 0.59
MAP3K20 Q9NYL2 2/20 0.59
ERN1 O75460 1/20 0.59

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
SCHEMBL24579569 0.88 BRAF (1.00) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL29735965 0.88 BRAF (1.00) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL12023652 0.86 BRAF (0.73) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL24579579 0.85 BRAF (0.86) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL21875507 0.83 BRAF (0.61) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL12023894 0.83 BRAF (0.60) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL12023951 0.82 PTGS2 (0.68) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL12023953 0.81 BRAF (0.61) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL1730222 0.80 PTGS2 (0.66) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3811246 0.80 RAF1 (0.61) BRAFRAF1ABL1FGFR1FLT3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
EP-1633758-B1 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE INC (US) 2011-11-23 EP disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 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 (2 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 BRAF 179/4885EGFR 3772/4885CYP3A4 4606/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 BRAF 154/4885EGFR 3656/4885CYP3A4 4483/4885

“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.