SCHEMBL19625512

SCHEMBL19625512

CC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2N2CCCC2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALOX15 P16050 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 3/20 0.41
S100B P04271 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 2/20 0.39
TERT O14746 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 2/20 0.36
KDM4E B2RXH2 3/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL19625509 0.87 AR (0.43) ALDH1A1MEN1KMT2AALOX15HTT
SCHEMBL19626664 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL19625508 0.82 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL19625474 0.82 MAOA (0.51) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL19625370 0.81 MAOA (0.50) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL19625386 0.80 AR (0.45) ALDH1A1MAPTKMT2AALOX15GAA
SCHEMBL19625470 0.79 TSHR (0.37) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL19625402 0.79 SMN1; SMN2 (0.47) MEN1KMT2AALOX15HSD17B10MAOA
SCHEMBL19625429 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL19625465 0.76 RAB9A (0.42) ALDH1A1MAPTMEN1KMT2AALOX15

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 ALDH1A1 1166/4885MAPT 4783/4885MEN1 4625/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885MEN1 4625/4885

“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.