SCHEMBL1493423

SCHEMBL1493423

Nc1cnc2cc(-c3ccc(Cl)cc3)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALKBH5 Q6P6C2 3/20 0.46
FTO Q9C0B1 1/20 0.46
APP P05067 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 4/20 0.41
AURKA O14965 1/20 0.41
STAT3 P40763 1/20 0.41
ALOX12 P18054 1/20 0.41

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) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1667886 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1493441 0.84 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL5057080 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL30737522 0.78 ALKBH5 (0.59) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL1493300 0.78 CYP2A6 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1493260 0.77 FYN (0.44) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1493264 0.76 CHEK1 (0.43)
SCHEMBL1493371 0.76 ALKBH5 (0.63) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL5062777 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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

“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.