SCHEMBL19625341

SCHEMBL19625341

CC(C)(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.55
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RXRA P19793 7/20 0.46
RXRB P28702 6/20 0.46
RXRG P48443 4/20 0.46
NR4A1 P22736 3/20 0.46
NR4A3 Q92570 3/20 0.46
PTGS2 P35354 2/20 0.45
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 2/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44

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
SCHEMBL7498583 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL19625454 0.84 NPC1 (0.52) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL19625355 0.84 RXRA (0.43) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL13081228 0.83 NR4A2 (0.49) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL821305 0.81 KDM4E (0.50) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8146420 0.81 NR4A2 (0.55) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL9452959 0.79 NR4A2 (0.49) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8151850 0.77 RXRA (0.51) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8140604 0.77 RXRA (0.51) NR4A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL2091239 0.75 MAPK13 (0.83) NR4A2MAPK13MAPK12MAPK11MAPK14

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-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
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 (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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NR4A2 266/4885MAPK13 1744/4885MAPK12 1157/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NR4A2 266/4885MAPK13 1744/4885MAPK12 1157/4885

“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.