SCHEMBL19743396

SCHEMBL19743396

NC(=O)c1nnn(Cc2ccccc2SCc2ccccc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 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
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL29849160 1.00 HPGD (0.55) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL11245223 0.82 HPGD (0.80) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL9477082 0.77 NPSR1 (0.65) HPGDSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL20952092 0.77 HPGD (0.52) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL10669535 0.77 HPGD (0.52) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL9475577 0.77 HPGD (0.52) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL9478376 0.77 NPC1 (0.56) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL19743797 0.74 HPGD (0.49) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL10666397 0.74 HPGD (0.49) HPGDSMN1; SMN2CYP1A2TSHRMEN1
SCHEMBL19743408 0.74 HPGD (0.52) HPGDSMN1; SMN2CYP1A2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP disclosed
EP-4108665-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. Hoffmann-La Roche AG (CH) 2022-12-28 EP disclosed
CN-115093418-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-23 CN disclosed
CN-115073476-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-20 CN disclosed
CN-113943297-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-01-18 CN disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR 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-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR CNR2, CNR1, P2RY2 HPGD 1919/4885SMN1; SMN2 3989/4885CYP1A2 317/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 HPGD 1919/4885SMN1; SMN2 3989/4885CYP1A2 317/4885

“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.