SCHEMBL1493300

SCHEMBL1493300

Nc1cnc2cc(-c3cccnc3)nn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
CYP2E1 P05181 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2B6 P20813 3/20 0.50
CYP2C19 P33261 3/20 0.50
FYN P06241 4/20 0.47
CYP3A4 P08684 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1493299 0.88 RAB9A (0.54) PTK2MEN1KDM4ENPC1RAB9A
SCHEMBL1493260 0.79 FYN (0.44) FYNMEN1KDM4ENPC1RAB9A
SCHEMBL1493265 0.79 ALKBH5 (0.53) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL2971288 0.78 CYP2A6 (0.50) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL1493423 0.78 NPC1 (0.52) MEN1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1493441 0.78 SMN1; SMN2 (0.55) CYP2C9CYP2C19CYP3A4MEN1KDM4E
SCHEMBL3236368 0.72 FYN (0.51) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL1493264 0.72 CHEK1 (0.43) FYNAXLBRAFKDR
SCHEMBL16863103 0.72 CYP2A6 (0.49) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL1493462 0.71 ADRA2C (0.50) FYNKDR

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 CYP2A6 4063/4885CYP2E1 1744/4885CYP2C9 4040/4885

“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.