SCHEMBL19626569

SCHEMBL19626569

Cc1ccc(-c2nc(C)oc2-c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61
MAPK14 Q16539 1/20 0.61
PTGS2 P35354 12/20 0.57
PTGS1 P23219 8/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL12490666 0.91 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL31194856 0.84 PTGS2 (0.74) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL31194859 0.84 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL14664024 0.84 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL31194860 0.84 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL2091239 0.83 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL14195802 0.82 NPC1 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL31194858 0.81 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8192267 0.81 ENPP3 (0.42) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL25351821 0.80 NR4A2 (0.67) MAPK13MAPK12MAPK11MAPK14PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 MAPK13 1744/4885MAPK12 1157/4885MAPK11 1891/4885

“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.