SCHEMBL1493441

SCHEMBL1493441

Cc1ccc(-c2cc3ncc(N)cn3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.55
NPC1 O15118 11/20 0.55
RAB9A P51151 11/20 0.55
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 8/20 0.55
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 8/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CYP2C19 P33261 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 4/20 0.47
GAA P10253 3/20 0.47
STAT1 P42224 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46

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 0.85 RAB9A (0.54) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1493423 0.84 NPC1 (0.52) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1493264 0.79 CHEK1 (0.43) LRRK2
SCHEMBL1493300 0.78 CYP2A6 (0.50) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL1493260 0.77 FYN (0.44) SMN1; SMN2NPC1RAB9AKDM4ENPSR1
SCHEMBL1493314 0.76 MAPT (0.63) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1666734 0.76 NPC1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL10366374 0.75 NPC1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL9975888 0.75 NPC1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5057080 0.75 NPC1 (0.60) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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 SMN1; SMN2 1935/4885NPC1 2144/4885RAB9A 787/4885

“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.