SCHEMBL20045472

SCHEMBL20045472

C=CC(=O)N1CC(N2Cc3ccc(-c4ccccc4C#N)cc3C2=O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
HSD17B3 P37058 1/20 0.39
BTK Q06187 3/20 0.37
KRAS P01116 5/20 0.36
KDM5A P29375 1/20 0.35
ABL1 P00519 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
MGLL Q99685 2/20 0.34
ESR2 Q92731 1/20 0.34
MAP3K5 Q99683 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
SCHEMBL20045937 0.85 USP30 (0.41) USP30HSD17B3BTKKRAS
SCHEMBL20132916 0.84 USP30 (0.43) USP30HSD17B3BTKKRAS
SCHEMBL20132843 0.83 BTK (0.40) BTKESR2
SCHEMBL20132849 0.83 ACHE (0.42) BTKKRASKDM5AMGLL
SCHEMBL20045467 0.82 KDM5A (0.37) BTKKRASKDM5AMGLL
SCHEMBL20046512 0.80 KDM5A (0.35) BTKKRASKDM5AMGLLMAP3K5
SCHEMBL20045414 0.79 JAK3 (0.45) BTK
SCHEMBL20045486 0.79 KRAS (0.39) KRASMGLL
SCHEMBL20132862 0.79 KDM4E (0.38) BTKKRASMGLL
SCHEMBL20045939 0.78 BTK (0.36) BTKKRASMGLLMAP3K5

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 USP30 1696/4885HSD17B3 4246/4885BTK 758/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS USP30 1574/4885HSD17B3 4240/4885BTK 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.