SCHEMBL1493328

SCHEMBL1493328

Nc1cnc2cc(OCCO)nn2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
IKBKB O14920 1/20 0.32
BRAF P15056 1/20 0.32
PIM1 P11309 1/20 0.31
LOX P28300 1/20 0.30
AOC3 Q16853 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
SCHEMBL1493332 0.81 BRAF (0.38) KDM4ELMNARECQLNPC1RAB9A
SCHEMBL1493317 0.78 LMNA (0.40) KDM4ELMNARECQLNPC1RAB9A
SCHEMBL1491001 0.77 MAPT (0.40) KDM4ELMNARECQLNPC1RAB9A
SCHEMBL16478034 0.71 LMNA (0.38) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493307 0.70 KIT (0.48) KDM4EPIK3CDFEN1
SCHEMBL54802 0.66 PIK3CD (0.49) KDM4ERECQLNPC1RAB9AALDH1A1
SCHEMBL1493375 0.66 LMNA (0.37) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493423 0.65 NPC1 (0.52) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL30433675 0.64 BRAF (0.35) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL1493264 0.63 CHEK1 (0.43) BRAFPIM1

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 KDM4E 3835/4885LMNA 1431/4885RECQL 1808/4885

“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.