SCHEMBL12461890

SCHEMBL12461890

O=C(NCCO)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.55
RAF1 P04049 9/20 0.55
MAPK14 Q16539 13/20 0.55
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
MAPK9 P45984 1/20 0.55
BRDT Q58F21 1/20 0.53
CSNK1D P48730 1/20 0.51
CSNK1E P49674 1/20 0.51
GCGR P47871 3/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL12461959 0.91 RAF1 (0.57) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461191 0.89 RAF1 (0.60) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461172 0.86 ALOX5 (0.64) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461160 0.85 RAF1 (0.62) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL2148151 0.83 MAPK14 (0.68) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461960 0.82 RAF1 (0.62) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL2148438 0.81 RAF1 (0.58) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461958 0.81 MAPK14 (0.65) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL12461957 0.78 MAPK14 (0.60) BRAFRAF1MAPK14MAPK13MAPK12
SCHEMBL2949385 0.74 MAPK13 (1.00) BRAFRAF1MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
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 BRAF 1/4885RAF1 2/4885MAPK14 193/4885

“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.