SCHEMBL1365189

SCHEMBL1365189

COc1cc(NC(=O)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.57
MAPK14 Q16539 8/20 0.54
KIT P10721 7/20 0.54
KDR P35968 7/20 0.54
LCK P06239 5/20 0.54
ABL1 P00519 2/20 0.53
BTK Q06187 3/20 0.50
SRC P12931 1/20 0.49
CSF1R P07333 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TNIK Q9UKE5 1/20 0.45

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
SCHEMBL1368565 0.85 BRAF (0.55) BRAFMAPK14KITKDRLCK
SCHEMBL4503280 0.83 P4HTM (0.52) BRAFKITABL1KDM4ETNIK
SCHEMBL4113859 0.83 KIT (0.56) BRAFMAPK14KITKDRLCK
SCHEMBL1367425 0.79 KIT (0.56) BRAFKITABL1SRCTNIK
SCHEMBL1367427 0.79 KIT (0.56) BRAFKITABL1
SCHEMBL14026983 0.79 KIT (0.57) KITKDRLCKABL1MAP3K20
SCHEMBL4114192 0.78 PIK3CA (0.55) BRAFMAPK14KITKDRLCK
SCHEMBL1367204 0.78 KIT (0.50) BRAFMAPK14KITKDRLCK
SCHEMBL4119286 0.78 KIT (0.50) BRAFKITABL1SRC
SCHEMBL1369048 0.76 BRAF (0.60) BRAFMAPK14KITKDRLCK

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-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US claimed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA BRAF 35/4885MAPK14 147/4885KIT 1200/4885

“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.