SCHEMBL20045491

SCHEMBL20045491

C=CC(=O)N1CC(N2Cc3ccc(-c4nc(O)cc5ccccc45)cc3C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.35
EGFR P00533 4/20 0.35
ACHE P22303 1/20 0.35
KRAS P01116 5/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 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
SCHEMBL20045492 0.86 BTK (0.37) BTKEGFRLCKMAPK1KDM5A
SCHEMBL20132862 0.85 KDM4E (0.38) BTKEGFRACHEKRASLCK
SCHEMBL20132908 0.84 HSP90AA1 (0.38) BTKEGFR
SCHEMBL20132849 0.84 ACHE (0.42) BTKEGFRACHEKRASFGFR1
SCHEMBL20046128 0.83 KRAS (0.38) BTKACHEKRAS
SCHEMBL20046111 0.81 MAP3K5 (0.36) BTKEGFRKRASMAPK1KDM5A
SCHEMBL20045476 0.79 JAK3 (0.34) BTKEGFRKRASKDM5A
SCHEMBL20045456 0.79 KDM5A (0.39) BTKEGFRKRASLCKSRC
SCHEMBL20045483 0.78 MAPK1 (0.41) EGFRKRASMAPK1
SCHEMBL20045414 0.78 JAK3 (0.45) BTK

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 BTK 758/4885EGFR 275/4885ACHE 4302/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS BTK 559/4885EGFR 233/4885ACHE 4421/4885

“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.