SCHEMBL31010652

SCHEMBL31010652

COc1cccc(F)c1-c1nc2nc(O)nc(O)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 1/20 0.39
▸ RPS6KA2 Q15349 5/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ MAP4K1 Q92918 6/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ CRHR1 P34998 2/20 0.34
▸ CTSA P10619 2/20 0.34

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
SCHEMBL27241457 1.00 HTR5A (0.39) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL29945193 0.82 HTR5A (0.39) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL29263384 0.79 SCN9A (0.39) HTR5ASCN9ACTSA
SCHEMBL29925056 0.78 HTR5A (0.37) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL29876096 0.78 HSP90AA1 (0.42) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL27241451 0.78 HTR5A (0.37) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL28585267 0.75 ALDH1A1 (0.38) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL30662761 0.75 ALDH1A1 (0.38) HTR5ARPS6KA2SCN9ALRRK2MAP4K1
SCHEMBL18135229 0.72 RPS6KA2 (0.42) RPS6KA2LRRK2MAP4K1CHEK1WEE1
SCHEMBL18128526 0.72 NQO2 (0.36) HTR5ARPS6KA2MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190871-A1 KRASG12D INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 — — US 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-20240190871-A1 KRASG12D INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, HRAS HTR5A 4824/4885RPS6KA2 1935/4885SCN9A 2636/4885

“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.

Send feedback