SCHEMBL31025949

SCHEMBL31025949

O=[N+]([O-])c1cnc2ccsc2c1NCC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
PRKCQ Q04759 13/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
CCNK O75909 1/20 0.35
CDK9 P50750 1/20 0.35
DCLK1 O15075 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL25262335 1.00 KCNH2 (0.37) KCNH2ATMATRPRKCQADORA2A
SCHEMBL29030581 0.83 GRIN2B (0.39) PRKCQADORA2BLMNAHTTCYP3A4
SCHEMBL31270725 0.81 KCNH3 (0.41) KCNH2ATMATRADORA2AADORA2B
SCHEMBL25818890 0.81 KCNH3 (0.41) KCNH2ATMATRADORA2AADORA2B
SCHEMBL2744399 0.80 KCNH2 (0.44) KCNH2ATMATRPRKCQMEN1
SCHEMBL28471596 0.78 PDE4A (0.40) ADORA2AADORA2BALDH1A1LMNAPDE4B
SCHEMBL31270778 0.78 KDM4E (0.43) ADORA2AADORA2BKDM4E
SCHEMBL25295149 0.78 KDM4E (0.43) ADORA2AADORA2BKDM4E
SCHEMBL4762154 0.78 KCNH2 (0.43) KCNH2ATMATRPRKCQDCLK1
SCHEMBL25253285 0.76 GRIN2B (0.60) CYP3A4CYP2D6CYP2C9

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 KCNH2 4762/4885ATM 3172/4885ATR 2960/4885
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 KCNH2 2985/4885ATM 4196/4885ATR 3083/4885
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B1, CYP11B2, CYP2D6 KCNH2 2109/4885ATM 4612/4885ATR 3788/4885
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 KCNH2 2985/4885ATM 4196/4885ATR 3083/4885

“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.