SCHEMBL31025957

SCHEMBL31025957

CCCCc1nc2c3sc(Br)cc3ncc2n1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.34
CNR2 P34972 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
NR1H2 P55055 2/20 0.31
CNR1 P21554 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL25301644 1.00 TLR7 (0.34) TLR7CNR2GABRG2GABRB3GABRA5
SCHEMBL29263608 0.86 TLR7 (0.35) TLR7CNR2GABRG2GABRB3GABRA5
SCHEMBL25254941 0.85 CNR2 (0.32) TLR7CNR2NR1H2CNR1
SCHEMBL30586084 0.80 CNR2 (0.32) CNR2CNR1
SCHEMBL25301516 0.80 CNR2 (0.32) CNR2CNR1
SCHEMBL25301747 0.80 TLR7 (0.34) TLR7TLR8
SCHEMBL30586085 0.80 TLR7 (0.34) TLR7TLR8
SCHEMBL25256470 0.78 TLR7 (0.34) TLR7TLR8
SCHEMBL25302358 0.73 CNR2 (0.33) CNR2CNR1
SCHEMBL29263587 0.72 AGTR1 (0.37) CNR2GABRG2GABRB3GABRA5CNR1

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
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2026-02-26 US disclosed
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-08-14 US disclosed
US-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2025-06-19 US disclosed
EP-4516321-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-03-05 EP disclosed
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-01-02 US disclosed
EP-4458830-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2024-11-06 EP disclosed
CN-118829451-A Antibody drug conjugate, pharmaceutical composition and application thereof 四川科伦博泰生物医药股份有限公司 2024-10-22 CN disclosed
WO-2023207710-A9 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-25 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 (4 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-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF CD47, ABCB1, EGFR TLR7 2638/4885CNR2 3312/4885GABRG2 235/4885
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 TLR7 2484/4885CNR2 519/4885GABRG2 4455/4885
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B1, CYP11B2, CYP2D6 TLR7 2700/4885CNR2 245/4885GABRG2 4015/4885
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 TLR7 2484/4885CNR2 519/4885GABRG2 4455/4885

“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.