SCHEMBL19625513

SCHEMBL19625513

CC(C)(C)c1nc(-c2csc3ccccc23)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM1A O60341 1/20 0.40
HPGD P15428 4/20 0.40
MAOB P27338 3/20 0.39
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TGFBR1 P36897 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 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
SCHEMBL19626670 0.82 C1S (0.46) C1SALDH1A1KDM1AHPGDMAOB
SCHEMBL2762871 0.77 ALDH1A1 (0.55) C1SALDH1A1KDM1AMAPT
SCHEMBL19625328 0.77 ATP4A (0.53) C1SHPGDMAPT
SCHEMBL12868390 0.76 ROCK1 (0.51) ALDH1A1HPGDMAPT
SCHEMBL13513656 0.75 MAPT (0.59) C1SALDH1A1KDM1AMAPTCYP11B1
SCHEMBL12293365 0.74 CYP19A1 (0.53) ALDH1A1KDM1AHPGDMAPT
SCHEMBL19625307 0.74 MPL (0.60) ALDH1A1HPGDMAPT
SCHEMBL19625320 0.74 HSD17B10 (0.60) ALDH1A1HPGDMAPT
SCHEMBL799900 0.73 ALDH1A1 (0.55) ALDH1A1HPGDMAPT
SCHEMBL19625327 0.72 CYP19A1 (0.57) C1SALDH1A1KDM1AMAPT

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 C1S 1023/4885ALDH1A1 1166/4885KDM1A 4059/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 C1S 1023/4885ALDH1A1 1166/4885KDM1A 4059/4885

“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.