SCHEMBL20046499

SCHEMBL20046499

C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]nc(N)c45)cc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.42
▸ KRAS P01116 5/20 0.41
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36

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
SCHEMBL20046159 0.85 KRAS (0.41) BTKKRASABL1BCR
SCHEMBL20045457 0.84 KRAS (0.56) KRAS
SCHEMBL20045445 0.83 KRAS (0.40) BTKKRAS
SCHEMBL20045433 0.81 KRAS (0.43) BTKKRAS
SCHEMBL20045455 0.81 KRAS (0.54) KRAS
SCHEMBL20046161 0.79 KRAS (0.41) KRAS
SCHEMBL20444872 0.79 BTK (0.44) BTKKRAS
SCHEMBL20045410 0.77 CRBN (0.39) KRASABL1
SCHEMBL20045465 0.76 KRAS (0.58) KRAS
SCHEMBL20045475 0.76 MAPK1 (0.41) 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 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 758/4885KRAS 1/4885ABL1 139/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS BTK 559/4885KRAS 1/4885ABL1 135/4885

“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.

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