SCHEMBL22864645

SCHEMBL22864645

CN1CCc2cc(O)c([N+](=O)[O-])cc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.50
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 3/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ DRD1 P21728 3/20 0.44
▸ DRD5 P21918 3/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41
▸ GRIA3 P42263 2/20 0.41
▸ GRIA4 P48058 2/20 0.41
▸ DRD3 P35462 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL30897542 0.89 SIRT6 (0.53) SIRT6MAPTPKMMAPK1
SCHEMBL25947383 0.83 MAOA (0.46) SIRT6MAOAMAOBSLC6A4HTR2A
SCHEMBL30242517 0.82 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL17304273 0.82 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL2247039 0.82 MAPT (0.50) SIRT6MAOAMAOBSLC6A4HTR2A
SCHEMBL24039926 0.82 HTR2A (0.51) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL20214612 0.82 HTR2A (0.51) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL20214458 0.82 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL13875035 0.82 MAOA (0.45) SIRT6MAOAMAOBSLC6A4HTR2A
SCHEMBL31391725 0.81 HTR2A (0.45) SIRT6MAOAMAOBSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 — — US disclosed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 — — CN disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 — — US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 — — EP disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 — — 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 (2 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 SIRT6 2308/4885MAOA 1599/4885MAOB 2431/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 SIRT6 2186/4885MAOA 4363/4885MAOB 4431/4885

“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.

Send feedback