SCHEMBL11890643

SCHEMBL11890643

Brc1ccc2nn(C3CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
BACE1 P56817 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SYK P43405 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL25339190 0.92 TLR8 (0.40) TLR8BACE1NPC1RAB9AMAPT
SCHEMBL30122249 0.89 IRAK4 (0.41) TLR8MAPTALDH1A1HTTIRAK4
SCHEMBL20135108 0.89 TLR8 (0.57) TLR8HTTIRAK4
SCHEMBL24508340 0.89 CRBN (0.41) TLR8MAPTALDH1A1HDAC8SYK
SCHEMBL29083643 0.89 CRBN (0.41) TLR8MAPTALDH1A1HDAC8SYK
Hydrochloric Acid SCHEMBL30508248 0.88 TLR8 (0.56) TLR8HTTIRAK4
SCHEMBL25338343 0.88 TLR8 (0.44) TLR8BACE1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL28215605 0.88 TLR8 (0.56) TLR8HTTIRAK4
SCHEMBL25911938 0.88 TLR8 (0.44) TLR8NPC1RAB9AMAPTALDH1A1
SCHEMBL25191308 0.87 ATM (0.45) TLR8NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774805-B1 HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER SERVIER LAB (FR) 2024-01-10 EP disclosed
CN-111936499-B Heterobicyclic inhibitors of MAT2A and methods for treating cancer 法国施维雅药厂 2023-09-19 CN disclosed
US-11524960-B2 Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer SERVIER PHARMACEUTICALS LLC (US) 2022-12-13 US disclosed
US-20210115045-A1 HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER SERVIER PHARMACEUTICALS LLC 2021-04-22 US disclosed
CN-111936499-A Heterobicyclic inhibitors of MAT2A and methods for treating cancer 安吉奥斯医药品有限公司 2020-11-13 CN disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US 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-20210115045-A1 HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER MAT2A, MAT2B, MAT1A TLR8 4804/4885BACE1 3873/4885NPC1 3259/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 TLR8 4878/4885BACE1 1/4885NPC1 796/4885
US-11524960-B2 Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer MAT2A, MAT2B, MAT1A TLR8 4804/4885BACE1 3873/4885NPC1 3259/4885

“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.