SCHEMBL1255880

SCHEMBL1255880

Brc1ccc(-c2cnc(C#CCOC3CCCCO3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GCK P35557 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34
MCHR1 Q99705 1/20 0.31
MET P08581 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2B Q13224 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
SCHEMBL21058120 0.80 GRM5 (0.42) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL29067795 0.80 KDM4C (0.40) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL1255116 0.79 CYP17A1 (0.41) GRM5GCK
SCHEMBL23704078 0.79 GRM5 (0.43) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL23729876 0.79 GRM5 (0.43) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL17313725 0.72 MEN1 (0.62) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL20120643 0.71 KDM4C (0.40) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL29547563 0.71 KDM4C (0.40) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL6288510 0.71 GRM5 (0.43) GRM5KDM4CL3MBTL1NPC1RAB9A
SCHEMBL20213850 0.71 KDM4C (0.40) GRM5KDM4CL3MBTL1NPC1RAB9A

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
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R GRM5 1516/4885KDM4C 1314/4885L3MBTL1 2370/4885

“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.