SCHEMBL9837779

SCHEMBL9837779

Nc1c([N+](=O)[O-])cnc2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
PDPK1 O15530 1/20 0.37
PARP1 P09874 1/20 0.37
PDE7A Q13946 1/20 0.36
CDK2 P24941 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIN1 Q13526 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 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
SCHEMBL3544906 0.81 GPR35 (0.39) ALDH1A1MAPTPDPK1PARP1HPGD
SCHEMBL30488581 0.81 AXL (0.42) ALDH1A1MAPTPDPK1PARP1AXL
SCHEMBL17305955 0.81 PDPK1 (0.40) PDPK1PARP1AXLMKNK1MKNK2
SCHEMBL3548733 0.81 AXL (0.42) ALDH1A1MAPTPDPK1PARP1AXL
SCHEMBL30598786 0.77 POLB (0.37) ALDH1A1MAPTPDPK1PARP1HPGD
SCHEMBL3543082 0.77 POLB (0.37) ALDH1A1MAPTPDPK1PARP1HPGD
SCHEMBL9838214 0.74 DYRK1A (0.42) ALDH1A1MAPTPDE7ACDK2HPGD
SCHEMBL28471596 0.74 PDE4A (0.40) ALDH1A1MAPTPDE7APDE4APDE4B
SCHEMBL31025953 0.73 AXL (0.42) ALDH1A1MAPTPDPK1PARP1HPGD
SCHEMBL10768234 0.73 AXL (0.42) ALDH1A1MAPTPDPK1PARP1HPGD

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 15 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
US-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2024-07-11 US disclosed
CN-118201933-A Tri-fused ring compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-06-14 CN disclosed
WO-2023207710-A1 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 2023-11-02 WO disclosed
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed
EP-0223420-B1 CONDENSED IMIDAZOPYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed
US-4753951-A ANTIDEPRESSANTS, ANXIOLYTICS SHIONOGI & CO., LTD. (JP) 1988-06-28 US disclosed
EP-0223420-A1 Condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 1987-05-27 EP 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 (5 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-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885MAPT 3080/4885PDPK1 352/4885
US-20250195683-A1 ANTIBODY-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEROF CD47, ABCB1, EGFR ALDH1A1 755/4885MAPT 285/4885PDPK1 4230/4885
US-20250257071-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 ALDH1A1 1601/4885MAPT 49/4885PDPK1 3549/4885
US-20260055119-A9 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B1, CYP11B2, CYP2D6 ALDH1A1 1379/4885MAPT 616/4885PDPK1 4453/4885
US-20250002502-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF CYP11B2, CYP11B1, CYP3A5 ALDH1A1 1601/4885MAPT 49/4885PDPK1 3549/4885

“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.