SCHEMBL19625331

SCHEMBL19625331

Cc1ccc(C)c(-c2csc(C(C)(C)C)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ATM Q13315 2/20 0.52
AR P10275 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
CCR6 P51684 1/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP17A1 P05093 1/20 0.39
TLR8 Q9NR97 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL19625306 0.87 MAPT (0.55) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL19002850 0.81 MEN1 (0.56) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL5331147 0.79 MEN1 (0.57) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL31512490 0.79 MEN1 (0.57) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL19625328 0.79 ATP4A (0.53) MEN1KMT2AATMSMN1; SMN2MAPT
SCHEMBL10304993 0.75 MEN1 (0.51) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL18997958 0.75 MEN1 (0.51) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL20665427 0.75 AR (0.55) MEN1KMT2AATMARSMN1; SMN2
SCHEMBL12282550 0.75 RAB9A (0.54) MEN1KMT2AARSMN1; SMN2MAPT
SCHEMBL19625309 0.75 PTGS2 (0.48) MEN1KMT2ASMN1; SMN2MAPTKDM4E

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 MEN1 4625/4885KMT2A 3504/4885ATM 1515/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MEN1 4625/4885KMT2A 3504/4885ATM 1515/4885

“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.