SCHEMBL1493324

SCHEMBL1493324

CC(C)Oc1cc2ncc(N)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL1493317 0.82 LMNA (0.40) BRAFLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493332 0.79 BRAF (0.38) BRAFLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1490944 0.77 MAPT (0.38) BRAFLMNAALDH1A1
SCHEMBL1493356 0.76 BRAF (0.41) BRAFLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493328 0.74 KDM4E (0.37) BRAFLMNANPC1RAB9ASMN1; SMN2
SCHEMBL16478034 0.72 LMNA (0.38) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1493408 0.72 BRAF (0.38) BRAFLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493375 0.70 LMNA (0.37) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1493441 0.69 SMN1; SMN2 (0.55) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5108 0.65 ALDH1A1 (0.49) RAB9AKDM4EALDH1A1PIK3CDPIK3CA

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 BRAF 1/4885LMNA 1431/4885NPC1 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.