SCHEMBL22967614

SCHEMBL22967614

C=CC(=O)N1CCN(c2nc(OC3(CN(C)C)CC3)nc3c2CCN(c2cccc4ccccc24)C3)CC1CC#N

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.70

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
SCHEMBL28519637 0.97 KRAS (0.70) KRAS
Trifluoroacetic Acid SCHEMBL28538146 0.96 KRAS (0.65) KRAS
Trifluoroacetic Acid SCHEMBL28533601 0.94 KRAS (0.65) KRAS
SCHEMBL22720098 0.91 KRAS (0.70) KRAS
SCHEMBL22720096 0.91 KRAS (0.70) KRAS
SCHEMBL22967727 0.91 KRAS (0.73) KRAS
SCHEMBL28538127 0.90 KRAS (0.72) KRAS
SCHEMBL22967615 0.90 KRAS (0.63) KRAS
SCHEMBL28526863 0.90 KRAS (0.59) KRAS
SCHEMBL22967618 0.89 KRAS (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 — — US disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 — — 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC 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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