SCHEMBL25303191

SCHEMBL25303191

Nc1ncc(Br)cc1-c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ADORA2A P29274 3/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2A6 P11509 2/20 0.37
▸ PDPK1 O15530 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ESR1 P03372 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
SCHEMBL16758509 0.82 CHEK2 (0.38) HTTKMT2AADORA2ACHEK2HSP90AA1
SCHEMBL17255919 0.77 KMT2A (0.65) HTTKMT2AALDH1A1NOS1DYRK1A
SCHEMBL9953629 0.76 SMPD3 (0.42) ADORA2ATSHRCYP2A6PDPK1SMPD3
SCHEMBL25260124 0.75 KMT2A (0.44) HTTKMT2AALDH1A1CYP2A6DYRK1A
SCHEMBL5016093 0.74 CHEK2 (0.50) ADORA2ACHEK2HSP90AA1CYP2A6PDPK1
SCHEMBL11440352 0.72 ADORA2A (0.41) ADORA2ACHEK2HSP90AA1ALDH1A1TSHR
SCHEMBL15113200 0.71 CYP2A6 (0.41) KMT2AADORA2ACHEK2HSP90AA1ALDH1A1
SCHEMBL17203383 0.71 KMT2A (0.44) HTTKMT2AALDH1A1NOS1CYP2A6
SCHEMBL27742561 0.71 RAB9A (0.50) HTTKMT2AADORA2ACHEK2ALDH1A1
SCHEMBL14413475 0.71 ADORA2A (0.33) ADORA2AADKABL1BCR

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 HTT 2870/4885KMT2A 3720/4885ADORA2A 4617/4885

“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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