SCHEMBL20045476

SCHEMBL20045476

C=CC(=O)N1CC(N2Cc3ccc(-c4ccc(O)nc4)cc3C2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.34
KRAS P01116 3/20 0.34
BTK Q06187 4/20 0.33
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
EGFR P00533 4/20 0.33
FGFR2 P21802 3/20 0.33
KDM5A P29375 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
SCHEMBL20046493 0.83 SOS1 (0.41) JAK3KRASBTKEGFR
SCHEMBL20046111 0.82 MAP3K5 (0.36) KRASBTKEGFRKDM5A
SCHEMBL20046512 0.82 KDM5A (0.35) KRASBTKEGFRKDM5A
SCHEMBL20045939 0.81 BTK (0.36) KRASBTKFGFR2
SCHEMBL20045483 0.81 MAPK1 (0.41) JAK3KRASEGFR
SCHEMBL20045461 0.81 PIK3CD (0.36) KRASEGFR
SCHEMBL20046108 0.81 KRAS (0.37) KRASCCNKCDK12
SCHEMBL20045937 0.80 USP30 (0.41) KRASBTKEGFR
SCHEMBL20046107 0.80 TDP2 (0.38) JAK3KRASBTKEGFRKDM5A
SCHEMBL20045454 0.79 KRAS (0.51) KRAS

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 JAK3 3141/4885KRAS 1/4885BTK 758/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS JAK3 2953/4885KRAS 1/4885BTK 559/4885

“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.