SCHEMBL20964396

SCHEMBL20964396

CC(C)(C)c1nc(=O)c2nnn(Cc3ccccc3C#CSI)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
CNR2 P34972 11/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAD51 Q06609 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19743343 0.86 HPGD (0.37) HPGDTSHRCNR2HTTSMN1; SMN2
SCHEMBL19744039 0.79 HPGD (0.40) HPGDTSHRCNR2HTTSMN1; SMN2
SCHEMBL14911524 0.79 HTT (0.51) TSHRCNR2HTTSMN1; SMN2LMNA
SCHEMBL14911407 0.77 KMT2A (0.51) HPGDCNR2SMN1; SMN2RAD51KMT2A
SCHEMBL14911499 0.69 PDE8B (0.44) HPGDCNR2RAD51
SCHEMBL20968378 0.68 TSHR (0.42) HPGDTSHRCNR2RAD51LMNA
SCHEMBL17731791 0.67 CNR2 (0.43) CNR2
SCHEMBL19743667 0.66 CNR2 (0.44) CNR2
SCHEMBL19743579 0.66 CNR2 (0.49) HPGDTSHRCNR2RAD51KMT2A
SCHEMBL19743706 0.64 HPGD (0.40) HPGDTSHRCNR2HTTRAD51

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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-20190127383-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R HPGD 1645/4885TSHR 838/4885CNR2 167/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP HPGD 1044/4885TSHR 656/4885CNR2 209/4885

“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.