SCHEMBL19625449

SCHEMBL19625449

CC(C)(C)c1nc(-c2ccc(-c3nnn[nH]3)cc2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SREBF2 Q12772 1/20 0.34
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3B P49841 1/20 0.33
AURKB Q96GD4 1/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL13545606 0.84 GAA (0.50) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL12282550 0.76 RAB9A (0.54) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL3597116 0.74 SREBF2 (0.57) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL13545609 0.74 SREBF2 (0.57) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL19625300 0.73 RAB9A (0.56) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL799889 0.73 RAB9A (0.56) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL19625332 0.73 RAB9A (0.58) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL12282347 0.73 LTA4H (0.58) COMTALDH1A1MAPTLMNARAB9A
SCHEMBL19625353 0.73 ATP4A (0.49) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL26014382 0.73 RAB9A (0.58) ALDH1A1MAPTRAB9ANPC1KDM4E

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 3261/4885ALDH1A1 1166/4885MAPT 4783/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 COMT 3261/4885ALDH1A1 1166/4885MAPT 4783/4885

“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.