SCHEMBL20045929

SCHEMBL20045929

C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)ccc4Cl)cc3CC2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.36
ACHE P22303 1/20 0.34
ABL1 P00519 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL20045408 0.86 CRBN (0.39) KRASACHEABL1
SCHEMBL20045452 0.82 KDM4E (0.36) KRASACHE
SCHEMBL20045411 0.77 KRAS (0.35) KRASACHE
SCHEMBL20045928 0.76 KRAS (0.50) KRAS
SCHEMBL20045923 0.75 KRAS (0.36) KRASACHE
SCHEMBL20046485 0.75 KRAS (0.39) KRAS
SCHEMBL20045410 0.74 CRBN (0.39) KRASACHEABL1
SCHEMBL20045930 0.74 KRAS (0.37) KRAS
SCHEMBL20045413 0.74 KRAS (0.37) KRASACHEABL1
SCHEMBL20046515 0.74 KRAS (0.37) KRASACHE

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 1/4885ACHE 4302/4885ABL1 139/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885ACHE 4421/4885ABL1 135/4885

“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.