SCHEMBL25209790

SCHEMBL25209790

CN(C)CC1(COc2nc(N3CCCC(C)(O)C3)c3cc(F)c(Br)c(F)c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.47

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
SCHEMBL25338764 1.00 KRAS (0.47) KRAS
SCHEMBL31323467 0.91 KRAS (0.38) KRAS
SCHEMBL25245870 0.90 KRAS (0.39) KRAS
SCHEMBL25245868 0.90 KRAS (0.39) KRAS
SCHEMBL25336659 0.89 KRAS (0.45) KRAS
SCHEMBL30923047 0.89 KRAS (0.49) KRAS
SCHEMBL25253561 0.87 KRAS (0.43) KRAS
SCHEMBL30430356 0.87 KRAS (0.43) KRAS
SCHEMBL25253562 0.87 KRAS (0.43) KRAS
SCHEMBL25336240 0.87 KRAS (0.45) KRAS

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
EP-4436571-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Merck Sharp & Dohme LLC (US) 2024-10-02 — — EP disclosed
CN-118302162-A Small molecule inhibitors of KRAS muteins 默沙东有限责任公司 2024-07-05 — — CN disclosed
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 — — US disclosed
WO-2023150284-A2 QUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-10 — — WO disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 — — WO disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 — — 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-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS KRAS, NRAS, HRAS KRAS 1/4885

“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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