SCHEMBL31164483

SCHEMBL31164483

COCOc1cc(-c2ncc3c(C4[C@H]5CN(C(=O)OC(C)(C)C)C[C@@H]45)cn(C4CC4)c3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
RET P07949 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL31164448 0.93 RET (0.32) ALOX5APFEN1RET
SCHEMBL31164358 0.89 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL31164454 0.87 JAK1 (0.34) RET
SCHEMBL31164419 0.87 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL31164463 0.85 GPR119 (0.31) RET
SCHEMBL31164516 0.85
SCHEMBL31049162 0.85 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL31164442 0.84
SCHEMBL31164388 0.83
SCHEMBL31164378 0.83 PIK3CA (0.32) PIK3CAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022118-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS UNIV TEXAS (US) 2026-01-22 US disclosed
WO-2024215862-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-10-17 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 (1 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-20260022118-A1 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS NRAS, KRAS, HRAS ALOX5AP 3913/4885FEN1 4250/4885RET 10/4885

“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.