SCHEMBL19625440

SCHEMBL19625440

CC(C)(C)c1cnn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
NOTUM Q6P988 4/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DRD4 P21917 5/20 0.40
HTR2C P28335 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.38
F2 P00734 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL26365549 0.84 TSHR (0.45) NOTUMNPC1MAPTRAB9AKMT2A
SCHEMBL13657996 0.82 GRM4 (0.40) NOTUMNPC1MAPTRAB9ADRD4
SCHEMBL9607548 0.81 GAA (0.53) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL13657993 0.80 NOTUM (0.44) NOTUMNPC1RAB9APLAUELANE
SCHEMBL10183504 0.80 KIF11 (0.42) KMT2AMEN1
SCHEMBL27834563 0.77 MAP4K4 (0.54) MAP4K4NOTUMNPC1MAPTNFKB1
SCHEMBL22388784 0.76 MAPT (0.46) NPC1MAPTRAB9ADRD4DRD2
SCHEMBL22388781 0.76 MELK (0.58) MAPTDRD4DRD2DRD3KMT2A
SCHEMBL9134518 0.76 ALDH1A1 (0.49) MAP4K4NOTUMNPC1MAPTNFKB1
SCHEMBL13153122 0.75 DRD4 (0.49) MAP4K4NOTUMNPC1MAPTNFKB1

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 MAP4K4 1917/4885NOTUM 4296/4885NPC1 2489/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MAP4K4 1917/4885NOTUM 4296/4885NPC1 2489/4885

“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.