SCHEMBL3219082

SCHEMBL3219082

[C-]#[N+]c1cc(C(C)(C)C)sc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.48
MAPK14 Q16539 8/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL161668 0.77 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9965178 0.76 RAF1 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL173108 0.76 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1912421 0.76 RAF1 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10264809 0.76 L3MBTL1 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14467713 0.74 RAF1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14726870 0.74 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL161941 0.72 L3MBTL1 (0.60) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13425471 0.72 RAF1 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10308320 0.72 RAF1 (0.69) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
US-20050256174-A1 Raf kinase inhibitors BAYER HEALTHCARE LLC 2005-11-17 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (4 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-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20050256174-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885MAPK14 239/4885MAPK13 150/4885

“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.