SCHEMBL1912421

SCHEMBL1912421

COC(=O)c1sc(C(C)(C)C)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.51
MAPK14 Q16539 8/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL10264961 0.87 RAF1 (0.40) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29273316 0.85 NOTUM (0.47) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL161668 0.81 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1912332 0.80 NPSR1 (0.41) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9965178 0.79 RAF1 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL173108 0.79 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10264809 0.79 L3MBTL1 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL161941 0.79 L3MBTL1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL319034 0.78 GSK3B (0.53) L3MBTL1MAPT
SCHEMBL14467713 0.78 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010663-A9 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2013-01-24 WO disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO disclosed
WO-2012010663-A1 2,3,5-TRISUBSTITUTED THIOPHENE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2012-01-26 WO disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 WO disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 RAF1 74/4885MAPK14 33/4885MAPK13 44/4885

“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.