SCHEMBL26528126

SCHEMBL26528126

Nc1cc2c(c(Br)c1F)CCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25808198 0.82 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL22989746 0.77 SOS1 (0.31)
SCHEMBL30005177 0.77 ACHE (0.32) MAPT
SCHEMBL23648065 0.77 ACHE (0.32) MAPT
SCHEMBL30888535 0.76 SOS1 (0.30)
SCHEMBL26112134 0.76
SCHEMBL31277838 0.76
SCHEMBL19475118 0.74 NLRP3 (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL23012452 0.73 KDM1A (0.32) MAPT
SCHEMBL6770814 0.72 MEN1 (0.39) MEN1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 US disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 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-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS KDM4E 4430/4885MEN1 427/4885ALDH1A1 2468/4885

“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.