SCHEMBL2265971

SCHEMBL2265971

CNc1ncc2cc(-c3c(C)ccc4c(Nc5cncc(OC(C)C)c5)nccc34)ccc2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.67
BRAF P15056 10/20 0.67
MAPK14 Q16539 9/20 0.57
KDR P35968 8/20 0.57
TEK Q02763 2/20 0.56
EIF2AK3 Q9NZJ5 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39
JAK3 P52333 4/20 0.35
FGFR4 P22455 2/20 0.34
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL2264137 0.90 LCK (0.67) LCKBRAFMAPK14KDRTEK
SCHEMBL11888977 0.88 LCK (0.67) LCKBRAFMAPK14KDRTEK
SCHEMBL11889149 0.85 LCK (0.75) LCKBRAFMAPK14KDRTEK
SCHEMBL2267507 0.83 LCK (0.70) LCKBRAFMAPK14KDRTEK
SCHEMBL2263097 0.83 LCK (0.69) LCKBRAFMAPK14KDRTEK
SCHEMBL11889240 0.81 LCK (0.73) LCKBRAFMAPK14KDRTEK
SCHEMBL4765562 0.80 LCK (1.00) LCKBRAFMAPK14KDRTEK
SCHEMBL2265296 0.80 LCK (0.70) LCKBRAFMAPK14KDRTEK
SCHEMBL5473754 0.80 LCK (0.70) LCKBRAFMAPK14KDRTEK
SCHEMBL2268853 0.79 LCK (0.66) LCKBRAFMAPK14KDRTEK

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-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 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 (2 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS LCK 386/4885BRAF 1/4885MAPK14 406/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 LCK 392/4885BRAF 1/4885MAPK14 465/4885

“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.