SCHEMBL20045458

SCHEMBL20045458

C=CC(=O)N1CCCC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
BTK Q06187 13/20 0.41
ITK Q08881 2/20 0.37

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
SCHEMBL20045456 0.95 KDM5A (0.39) EGFRBTK
SCHEMBL20132862 0.91 KDM4E (0.38) EGFRBTK
SCHEMBL20045453 0.90 KRAS (0.39) EGFRBTK
SCHEMBL20045462 0.84 KRAS (0.38) EGFRBTK
SCHEMBL20045428 0.84 KRAS (0.39) EGFRBTK
SCHEMBL20132849 0.81 ACHE (0.42) EGFRBTK
SCHEMBL24285757 0.79 BTK (0.44) EGFRBTKITK
SCHEMBL29445308 0.79 BTK (0.44) EGFRBTKITK
SCHEMBL29445296 0.79 BTK (0.44) EGFRBTKITK
SCHEMBL20445057 0.79 BTK (0.44) EGFRBTKITK

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 EGFR 275/4885BTK 758/4885ITK 3009/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS EGFR 233/4885BTK 559/4885ITK 2851/4885

“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.