SCHEMBL1500299

SCHEMBL1500299

COC(Br)Cc1ccc2nccn2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
CPB2 Q96IY4 1/20 0.44
DAO P14920 1/20 0.40
DYRK1A Q13627 2/20 0.40
MERTK Q12866 9/20 0.39
AXL P30530 8/20 0.38
FLT3 P36888 8/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.36
TGFBR1 P36897 1/20 0.36
RET P07949 1/20 0.36
TRIM33 Q9UPN9 1/20 0.35
TYRO3 Q06418 2/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL19368821 0.80 KEAP1 (0.67) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL29372807 0.77 KEAP1 (0.58) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL18297160 0.76 KEAP1 (0.62) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL24494597 0.74 KEAP1 (0.68) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL74518 0.74 KEAP1 (0.68) KEAP1CPB2DAODYRK1AMERTK
Ammonia Solution, Strong SCHEMBL28922912 0.73 KEAP1 (0.66) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL19973166 0.71 KEAP1 (0.48) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL24484881 0.71 KEAP1 (0.64) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL14638413 0.71 KEAP1 (0.68) KEAP1CPB2DAODYRK1AMERTK
SCHEMBL6092812 0.71 KEAP1 (1.00) KEAP1CPB2DAODYRK1AMERTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 KEAP1 1409/4885CPB2 4361/4885DAO 2368/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 KEAP1 1217/4885CPB2 4227/4885DAO 2243/4885

“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.