SCHEMBL20045486

SCHEMBL20045486

C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(F)c4Cl)cc3C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 17/20 0.39
JAK3 P52333 1/20 0.33
MGLL Q99685 1/20 0.33
CRBN Q96SW2 1/20 0.33

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 0.85 CRBN (0.39) KRASCRBN
SCHEMBL20046108 0.83 KRAS (0.37) KRASCRBN
SCHEMBL20045461 0.83 PIK3CD (0.36) KRASMGLLCRBN
SCHEMBL20045442 0.83 CRBN (0.35) KRASCRBN
SCHEMBL20045436 0.83 KRAS (0.35) KRASJAK3CRBN
SCHEMBL20045410 0.82 CRBN (0.39) KRASJAK3CRBN
SCHEMBL20132862 0.81 KDM4E (0.38) KRASMGLLCRBN
SCHEMBL20045454 0.80 KRAS (0.51) KRAS
SCHEMBL20045472 0.79 USP30 (0.45) KRASMGLL
SCHEMBL20046512 0.79 KDM5A (0.35) KRASMGLL

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 1/4885JAK3 3141/4885MGLL 3708/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885JAK3 2953/4885MGLL 3727/4885

“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.