SCHEMBL20045440

SCHEMBL20045440

C=CC(=O)N1CC(n2[nH]c3ccc(-c4c(C)ccc5[nH]ncc45)cc3c2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 18/20 0.50
▸ ABL1 P00519 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44

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
SCHEMBL20045432 0.85 KRAS (0.49) KRAS
SCHEMBL20045941 0.84 KRAS (0.49) KRAS
SCHEMBL20132897 0.82 KRAS (0.56) KRASABL1
SCHEMBL20045421 0.82 KRAS (0.48) KRASABL1
SCHEMBL20045466 0.81 KRAS (0.58) KRASABL1
SCHEMBL29445302 0.81 KRAS (0.51) KRASABL1MAP4K1
SCHEMBL20444973 0.81 KRAS (0.51) KRASABL1MAP4K1
SCHEMBL24285829 0.80 KRAS (0.50) KRASABL1
SCHEMBL29445247 0.80 KRAS (0.51) KRASABL1MAP4K1
SCHEMBL24285827 0.80 KRAS (0.51) KRASABL1MAP4K1

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-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 — — US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 — — US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 — — 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 (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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885ABL1 139/4885MAP4K1 704/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885ABL1 135/4885MAP4K1 717/4885

“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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