SCHEMBL12461192

SCHEMBL12461192

O=C(NO)c1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.62
BRAF P15056 5/20 0.62
MAPK13 O15264 14/20 0.61
MAPK12 P53778 14/20 0.61
MAPK11 Q15759 14/20 0.61
MAPK14 Q16539 14/20 0.61
GCGR P47871 5/20 0.58
MAPK9 P45984 1/20 0.56
ALOX5 P09917 2/20 0.56

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
SCHEMBL14689935 0.89 RAF1 (0.67) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL12461172 0.82 ALOX5 (0.64) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL12856388 0.82 BRAF (0.90) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL2148570 0.78 MAPK14 (0.64) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL12462140 0.78 MAPK14 (0.62) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL29355176 0.77 BRAF (1.00) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL7643418 0.77 BRAF (1.00) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL28403334 0.77 MAPK13 (1.00) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL2649589 0.77 MAPK13 (0.90) RAF1BRAFMAPK13MAPK12MAPK11
SCHEMBL12461153 0.77 BRAF (0.59) RAF1BRAFMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885MAPK13 142/4885

“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.