SCHEMBL4733743

SCHEMBL4733743

Nc1ccc(Oc2cc(Nc3ccccc3)ncn2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.54
MET P08581 4/20 0.47
EGFR P00533 5/20 0.46
ERBB2 P04626 2/20 0.46
KDR P35968 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK3 P27361 2/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1137145 0.87 EGFR (0.54) RAF1METEGFRERBB2KDR
SCHEMBL1896051 0.80 MEN1 (0.55) RAF1EGFRKDRMEN1KMT2A
SCHEMBL4729808 0.80 KDR (0.57) RAF1METEGFRERBB2KDR
SCHEMBL1137112 0.80 RAF1 (0.54) RAF1METKDRMAPK3BRAF
SCHEMBL4731957 0.80 GCK (0.46) METKDRBRAF
SCHEMBL1137055 0.80 MET (0.51) RAF1METMEN1KMT2AMAPK3
SCHEMBL3550001 0.78 RAF1 (0.48) RAF1METKDRMAPK3BRAF
SCHEMBL27724948 0.78 RAF1 (0.49) RAF1METKDRMEN1KMT2A
SCHEMBL4891075 0.77 MET (0.57) METKDRNPC1RAB9A
SCHEMBL14769593 0.75 SCN9A (0.56) EGFRERBB2KDRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008046216-A1 KINASE INHIBITORS AND USES THEREOF METHYLGENE, INC. (CA) 2008-04-24 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 RAF1 104/4885MET 545/4885EGFR 161/4885

“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.