SCHEMBL20045937

SCHEMBL20045937

C=CC(=O)N1CC(N2Cc3ccc(-c4ccc(C#N)cc4)cc3C2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
BTK Q06187 3/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HSD17B3 P37058 1/20 0.35
BCL2A1 Q16548 1/20 0.35
GSK3B P49841 1/20 0.34
EGFR P00533 1/20 0.34
MAPK1 P28482 2/20 0.34
KRAS P01116 2/20 0.34
HTR2B P41595 1/20 0.34
PAX8 Q06710 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL20132916 0.91 USP30 (0.43) USP30BTKHTR2AHTR2CHRH3
SCHEMBL20045472 0.85 USP30 (0.45) USP30BTKHSD17B3KRAS
SCHEMBL20045939 0.84 BTK (0.36) BTKHRH3KRAS
SCHEMBL20046107 0.83 TDP2 (0.38) BTKEGFRKRAS
SCHEMBL20045476 0.80 JAK3 (0.34) BTKEGFRKRAS
SCHEMBL20046493 0.80 SOS1 (0.41) BTKHRH3EGFRKRAS
SCHEMBL20046108 0.80 KRAS (0.37) KRASPAX8
SCHEMBL20045461 0.80 PIK3CD (0.36) BCL2A1EGFRKRASPAX8
SCHEMBL20046113 0.80 TDP2 (0.42) BTKKRAS
SCHEMBL20046469 0.79 KRAS (0.40) KRASPAX8

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 1696/4885BTK 758/4885HTR2A 4471/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS USP30 1574/4885BTK 559/4885HTR2A 4541/4885

“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.