SCHEMBL19743373

SCHEMBL19743373

[N-]=[N+]=NCc1ccccc1CCl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL29849065 1.00 KAT2B (0.41) KAT2BALDH1A1TSHRMCL1
SCHEMBL28312340 0.89 KAT2B (0.47) KAT2BALDH1A1MCL1
SCHEMBL14911695 0.79 IDO1 (0.45) KAT2B
SCHEMBL17553821 0.79 KAT2B (0.45) KAT2BMCL1
SCHEMBL23293650 0.75 TAAR1 (0.42) KAT2BTSHRMCL1
SCHEMBL16016173 0.75 TAAR1 (0.42) KAT2BALDH1A1TSHR
SCHEMBL15923101 0.75 TAAR1 (0.43) KAT2BALDH1A1
SCHEMBL21594374 0.75 HSPA5 (0.48) KAT2BTSHRMCL1
SCHEMBL30301878 0.75 TAAR1 (0.42) KAT2BTSHRMCL1
SCHEMBL17399958 0.75 KAT2B (0.41) KAT2BALDH1A1TSHRMCL1

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 26 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-10953369-B2 Spirocentric compounds and polymers thereof GEORGIA TECH RESEARCH CORPORATION (US) 2021-03-23 — — US disclosed
EP-3762391-A1 SPIROCENTRIC COMPOUNDS AND POLYMERS THEREOF ExxonMobil Research and Engineering Company (US) 2021-01-13 — — EP disclosed
US-20190127385-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES 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
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
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-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 KAT2B 4484/4885ALDH1A1 2101/4885TSHR 567/4885
US-10953369-B2 Spirocentric compounds and polymers thereof PKD1, PKD2, VIM KAT2B 3282/4885ALDH1A1 2886/4885TSHR 2361/4885
US-20190127385-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TYMP, TBXA2R KAT2B 3749/4885ALDH1A1 267/4885TSHR 838/4885

“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.

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