SCHEMBL19743797

SCHEMBL19743797

C#Cc1ccccc1Cn1nnc(C(N)=O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44
GALR3 O60755 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NR2F2 P24468 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TP53 P04637 2/20 0.40
PLA2G1B P04054 1/20 0.39

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
SCHEMBL9478376 0.83 NPC1 (0.56) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL10669535 0.83 HPGD (0.52) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL20952092 0.80 HPGD (0.52) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL9475577 0.80 HPGD (0.52) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL10666397 0.80 HPGD (0.49) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL10666407 0.78 SMN1; SMN2 (0.53) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL19743408 0.77 HPGD (0.52) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL11245223 0.76 HPGD (0.80) HPGDHTTSMN1; SMN2CYP1A2GALR3
SCHEMBL11120435 0.75 NPSR1 (0.63) HPGDALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL19743396 0.74 HPGD (0.55) HPGDALDH1A1HTTNPSR1SMN1; SMN2

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 8 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-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
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
CN-109415366-A Novel [1,2,3] triazol [4,5-d] pyrimidine derivatives 豪夫迈·罗氏有限公司 2019-03-01 CN 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 1645/4885ALDH1A1 267/4885HTT 3880/4885
US-10457684-B2 [1,2,3]triazolo[4,5-d]pyrimidine derivatives TYMS, DPYD, TYMP HPGD 1044/4885ALDH1A1 240/4885HTT 3129/4885

“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.