SCHEMBL20045941

SCHEMBL20045941

C=CC(=O)N1CC(n2c3ccc(-c4c(C)ccc5[nH]ncc45)cc3c(=O)n2C)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.49
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL20045421 0.94 KRAS (0.48) KRASCYP3A4CYP2C9
SCHEMBL20045432 0.94 KRAS (0.49) KRASCYP3A4CYP2C9
SCHEMBL20045947 0.93 KRAS (0.50) KRAS
SCHEMBL20133111 0.92 KRAS (0.46) KRASCYP3A4CYP2C9
SCHEMBL20045440 0.84 KRAS (0.50) KRAS
SCHEMBL20444973 0.81 KRAS (0.51) KRAS
SCHEMBL29445302 0.81 KRAS (0.51) KRAS
SCHEMBL24285827 0.81 KRAS (0.51) KRAS
SCHEMBL20132897 0.81 KRAS (0.56) KRAS
SCHEMBL24285829 0.81 KRAS (0.50) KRASCYP3A4CYP2C9

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 1/4885CYP3A4 4063/4885CYP2C9 3242/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 4052/4885CYP2C9 3239/4885

“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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