SCHEMBL19625348

SCHEMBL19625348

CC(C)(C)c1nc(-c2c(Cl)cc(Cl)cc2Cl)cs1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.34
CYP19A1 P11511 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
CASR P41180 1/20 0.32
MAPT P10636 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX5 P09917 1/20 0.30
SHMT1 P34896 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL19625335 0.84 CYP19A1 (0.39) COMTCYP19A1ALDH1A1HTTMAPT
SCHEMBL19626575 0.79 RAB9A (0.49) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL19625347 0.77 COMT (0.39) COMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL19625380 0.77 MAPK1 (0.37) COMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL19625299 0.76 LMNA (0.38) COMTALDH1A1HTTCASRMAPT
SCHEMBL799889 0.75 RAB9A (0.56) CYP19A1RAB9ANPC1ALDH1A1HTT
SCHEMBL6568642 0.75 CNR2 (0.43) COMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL13650700 0.75 CYP1A2 (0.53) RAB9ANPC1MAPTALOX5MEN1
SCHEMBL19625313 0.74 ABL1 (0.55) COMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL12293307 0.73 CYP19A1 (0.55) CYP19A1RAB9ANPC1MAPT

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 COMT 3261/4885CYP19A1 821/4885RAB9A 3162/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 COMT 3261/4885CYP19A1 821/4885RAB9A 3162/4885

“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.