SCHEMBL1493260

SCHEMBL1493260

Nc1cnc2cc(-c3cccc(F)c3)nn2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BRAF P15056 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP4K4 O95819 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
HPGDS O60760 1/20 0.41
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL1493299 0.87 RAB9A (0.54) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1493300 0.79 CYP2A6 (0.50) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1493267 0.78 ALKBH5 (0.51) FYNKDM4EBRAFMEN1MAPT
SCHEMBL1493423 0.77 NPC1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1493441 0.77 SMN1; SMN2 (0.55) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30375110 0.75 GRM5 (0.47) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1493462 0.75 ADRA2C (0.50) FYN
SCHEMBL2318238 0.72 HPGDS (0.60) FYNKDM4EMEN1MAPTKMT2A
SCHEMBL12613456 0.71 SMN1; SMN2 (0.72) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1493264 0.71 CHEK1 (0.43) FYNBRAF

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FYN 421/4885KDM4E 3835/4885NPC1 2144/4885

“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.