SCHEMBL19744039

SCHEMBL19744039

CC(C)(C)c1nc(=O)c2nnn(Cc3ccccc3Br)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
GRM2 Q14416 3/20 0.39
HTT P42858 1/20 0.37
TYR P14679 1/20 0.37
RAD51 Q06609 1/20 0.35
CNR2 P34972 5/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14911524 0.86 HTT (0.51) TSHRHTTCNR2KMT2ALMNA
SCHEMBL14911407 0.83 KMT2A (0.51) HPGDGRM2RAD51CNR2KMT2A
SCHEMBL20964396 0.79 HPGD (0.36) HPGDTSHRHTTRAD51CNR2
SCHEMBL14911499 0.75 PDE8B (0.44) HPGDRAD51CNR2
SCHEMBL20968378 0.74 TSHR (0.42) HPGDTSHRRAD51CNR2KMT2A
SCHEMBL17731791 0.73 CNR2 (0.43) CNR2
SCHEMBL19743667 0.72 CNR2 (0.44) CNR2
SCHEMBL19743706 0.70 HPGD (0.40) HPGDTSHRHTTRAD51CNR2
SCHEMBL19744103 0.66 HPGD (0.36) HPGDTSHRHTTCNR2KMT2A
SCHEMBL19743563 0.65 RAD51 (0.44) HPGDRAD51CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475280-B1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-08 EP disclosed
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
EP-3475280-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220516-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO 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 838/4885GRM2 1681/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP HPGD 1044/4885TSHR 656/4885GRM2 1577/4885

“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.