SCHEMBL26612858

SCHEMBL26612858

N#CC[C@H]1CN(c2nc(Cl)nc3cc(Br)cnc23)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 12/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ USP14 P54578 4/20 0.31
▸ EIF4EBP1 Q13541 1/20 0.31
▸ VHL P40337 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ CCNH P51946 1/20 0.30
▸ MNAT1 P51948 1/20 0.30
▸ SOS1 Q07889 1/20 0.30
▸ FNTA P49354 1/20 0.30
▸ FNTB P49356 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
SCHEMBL26612863 1.00 KRAS (0.34) KRASPIK3CDUSP14EIF4EBP1VHL
SCHEMBL26672499 0.91 KRAS (0.35) KRASPIK3CDUSP14EIF4EBP1VHL
SCHEMBL26672478 0.91 KRAS (0.35) KRASPIK3CDUSP14EIF4EBP1VHL
SCHEMBL26852191 0.87 KRAS (0.36) KRASFNTAFNTB
SCHEMBL29914750 0.87 KRAS (0.36) KRASFNTAFNTB
SCHEMBL26738599 0.87 KRAS (0.36) KRASFNTAFNTB
SCHEMBL26612723 0.86 KRAS (0.38) KRASSOS1
SCHEMBL26612717 0.86 KRAS (0.38) KRASSOS1
SCHEMBL29914720 0.85 IDH1 (0.35) KRASPIK3CDEIF4EBP1SOS1
SCHEMBL22554819 0.81 KRAS (0.38) KRASPIK3CDSOS1

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-20240140948-A1 PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BETA PHARMA INC (US) 2024-05-02 — — US disclosed
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 — — US disclosed
EP-4281457-A1 PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Beta Pharma, Inc. (US) 2023-11-29 — — 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-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 (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-20240140948-A1 PYRIDOPYRIMIDINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885PIK3CD 149/4885USP14 3410/4885
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS KRAS 1/4885PIK3CD 345/4885USP14 1747/4885

“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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