SCHEMBL19743369

SCHEMBL19743369

S=C=NCc1ccccc1CCl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.52
TRPA1 O75762 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A13 Q16696 1/20 0.39
EPAS1 Q99814 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NAAA Q02083 3/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
TSHR P16473 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
SCHEMBL29849194 1.00 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141390 0.89 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL29616337 0.89 MIF (0.62) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763355 0.83 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9438264 0.79 GABRA1 (0.39) ALDH1A1CYP3A4GABRA1GABRB2TSHR
SCHEMBL9715358 0.79 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457250 0.79 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13525501 0.79 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2564569 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3933178 0.75 MIF (0.52) MIFTRPA1ALDH1A1CYP3A4HPGD

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 23 patents — showing the first 20. 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-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
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
CN-109311886-B [1,2,3] triazolo [4,5-d ] pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-11-09 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
US-20190127385-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES 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
EP-3475281-A1 NOVEL [1,2,31TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
CN-109348716-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 2019-02-15 CN disclosed
CN-109311886-A Novel [1,2,3] triazol [4,5-d] pyrimidine derivatives 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
WO-2018015088-A1 NOVEL [1,2,31TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO disclosed
WO-2018015088-A1 NOVEL [1,2,31TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-25 WO 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 (3 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 MIF 4702/4885TRPA1 279/4885ALDH1A1 2101/4885
US-20190127385-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R MIF 3639/4885TRPA1 1697/4885ALDH1A1 267/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 MIF 4702/4885TRPA1 279/4885ALDH1A1 2101/4885

“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.