SCHEMBL25260124

SCHEMBL25260124

Nc1ncc(Br)cc1-c1nncs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ DYRK1A Q13627 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G1B P04054 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PAK4 O96013 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
SCHEMBL17255919 0.75 KMT2A (0.65) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL25303191 0.75 HTT (0.46) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL17203540 0.72 KMT2A (0.43) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL17203383 0.70 KMT2A (0.44) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL22558703 0.70 KMT2A (0.41) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL31150860 0.69 MAP4K4 (0.42) KMT2AHTTMEN1MAPTBLM
SCHEMBL25305371 0.69 MAP4K4 (0.42) KMT2AHTTMEN1MAPTBLM
SCHEMBL22558858 0.69 KMT2A (0.40) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL31417903 0.67 CYP2A6 (0.44) POLBCYP2A6KDRPTK2
SCHEMBL19113187 0.67 HTT (0.44) KMT2AHTTDYRK1AIDO1NPC1

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-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 — — US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 — — EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 — — CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 — — 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 (1 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-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN KMT2A 3720/4885HTT 2870/4885DYRK1A 2073/4885

“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.

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