SCHEMBL24580208

SCHEMBL24580208

N#CC[C@H]1CN(c2nc(Cl)nc3cc(Br)cnc23)CCN1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL26612701 1.00 HRH4 (0.34) HRH4HRH3HRH2HRH1KCNH2
SCHEMBL29697727 1.00 HRH4 (0.34) HRH4HRH3HRH2HRH1KCNH2
SCHEMBL26528036 0.78 HTR6 (0.31) —
SCHEMBL26612863 0.78 KRAS (0.34) —
SCHEMBL26612858 0.78 KRAS (0.34) —
SCHEMBL28487072 0.77 — —
SCHEMBL23206634 0.76 — —
SCHEMBL22555268 0.76 SCN9A (0.31) HRH4
SCHEMBL29947604 0.76 SCN9A (0.31) HRH4
SCHEMBL22631412 0.75 SCN9A (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 — — US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 — — EP disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 — — EP disclosed
CN-116648452-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-08-25 — — CN disclosed
CN-113999226-B Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-01-06 — — CN disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 — — WO disclosed
CN-113999226-A Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2022-02-01 — — CN 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-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS HRH4 1397/4885HRH3 1959/4885HRH2 1287/4885

“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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