SCHEMBL20045461

SCHEMBL20045461

C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(F)c4)cc3C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CA P42336 3/20 0.35
CRBN Q96SW2 1/20 0.35
EGFR P00533 2/20 0.35
KRAS P01116 8/20 0.35
MGLL Q99685 1/20 0.35
PIK3CG P48736 2/20 0.34
ACHE P22303 1/20 0.33
PAX8 Q06710 1/20 0.33
BCL2A1 Q16548 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
SCHEMBL20046108 0.88 KRAS (0.37) CRBNKRASACHEPAX8
SCHEMBL20045486 0.83 KRAS (0.39) CRBNKRASMGLL
SCHEMBL20045436 0.81 KRAS (0.35) CRBNKRASACHE
SCHEMBL20045476 0.81 JAK3 (0.34) EGFRKRAS
SCHEMBL20045939 0.81 BTK (0.36) KRASMGLL
SCHEMBL20045454 0.80 KRAS (0.51) KRAS
SCHEMBL20045410 0.80 CRBN (0.39) CRBNKRASACHE
SCHEMBL20045408 0.80 CRBN (0.39) CRBNKRASACHE
SCHEMBL20045442 0.80 CRBN (0.35) CRBNEGFRKRAS
SCHEMBL20132862 0.80 KDM4E (0.38) CRBNEGFRKRASMGLLACHE

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 PIK3CD 359/4885PIK3CB 386/4885PIK3CA 95/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS PIK3CD 322/4885PIK3CB 360/4885PIK3CA 88/4885

“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.