SCHEMBL3484532

SCHEMBL3484532

c1ccc(COc2ccn3ccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
ALOX5 P09917 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOB P27338 5/20 0.45
HMOX1 P09601 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
IGF1R P08069 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL30051752 0.85 FFAR1 (0.42) MAPK14ALOX5CYP3A4MAOBHMOX1
SCHEMBL1192301 0.79 MAPK14 (0.47) MAPK14ALOX5CYP3A4MAOBCYP19A1
SCHEMBL21593291 0.79 LTA4H (0.41) MAOBLMNAMAPT
SCHEMBL25248005 0.79 MCHR1 (0.40) MAOBMAOA
SCHEMBL11534498 0.78 KEAP1 (0.49) ALOX5CYP3A4MAOBHMOX1CYP19A1
SCHEMBL21593390 0.77 HMOX1 (0.41) MAPK14CYP3A4HMOX1CYP19A1IGF1R
SCHEMBL20049567 0.77 MCHR1 (0.54) MAPK14ALOX5CYP3A4MAOB
SCHEMBL24567243 0.76 ALOX5 (0.41) MAPK14ALOX5CYP3A4MAOBHMOX1
SCHEMBL22926233 0.75 JMJD6 (0.54) LMNASLC6A2SLC6A3MAPTL3MBTL1
SCHEMBL1192458 0.74 EGLN2 (0.48) MAPK14ALOX5CYP3A4MAOBCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 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 (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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MAPK14 261/4885ALOX5 4031/4885CYP3A4 1114/4885

“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.