SCHEMBL20132916

SCHEMBL20132916

C=CC(=O)N1CC(N2Cc3ccc(-c4cccc(C#N)c4)cc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
KRAS P01116 1/20 0.43
BTK Q06187 3/20 0.40
EGFR P00533 2/20 0.40
PAX8 Q06710 1/20 0.39
HSD17B3 P37058 1/20 0.38
BCL2A1 Q16548 2/20 0.38
SLC6A7 Q99884 1/20 0.38
PGR P06401 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TXK P42681 1/20 0.35
ITK Q08881 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL20045937 0.91 USP30 (0.41) USP30KRASBTKEGFRPAX8
SCHEMBL20045472 0.84 USP30 (0.45) USP30KRASBTKHSD17B3
SCHEMBL20046113 0.83 TDP2 (0.42) KRASBTKLIPG
SCHEMBL20045471 0.82 TDP2 (0.42) KRASBTKEGFR
SCHEMBL20045939 0.80 BTK (0.36) KRASBTKHRH3
SCHEMBL20132849 0.79 ACHE (0.42) KRASBTKEGFR
SCHEMBL20046107 0.79 TDP2 (0.38) KRASBTKEGFRITK
SCHEMBL20046111 0.78 MAP3K5 (0.36) KRASBTKEGFR
SCHEMBL20045476 0.78 JAK3 (0.34) KRASBTKEGFR
SCHEMBL20045454 0.78 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 2 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

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 USP30 1696/4885KRAS 1/4885BTK 758/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS USP30 1574/4885KRAS 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.