SCHEMBL31523958

SCHEMBL31523958

C=CC(=O)N1CC[C@H](N2CC(C#Cc3c(-c4ccc(Oc5cccc(F)c5)cc4)c4c(N)ncnc4n3C)C2)[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.51
▸ NUDT5 Q9UKK9 1/20 0.45
▸ EGFR P00533 2/20 0.44

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
SCHEMBL24459069 1.00 BTK (0.51) BTKNUDT5EGFR
SCHEMBL24458625 1.00 BTK (0.51) BTKNUDT5EGFR
SCHEMBL31523774 1.00 BTK (0.51) BTKNUDT5EGFR
SCHEMBL24458483 0.93 BTK (0.53) BTKNUDT5EGFR
SCHEMBL24459131 0.93 BTK (0.53) BTKNUDT5EGFR
SCHEMBL24459101 0.93 BTK (0.53) BTKNUDT5EGFR
SCHEMBL24459058 0.89 BTK (0.49) BTKEGFR
SCHEMBL31524048 0.89 BTK (0.49) BTKEGFR
SCHEMBL24458940 0.89 BTK (0.46) BTKNUDT5EGFR
SCHEMBL24458675 0.88 BTK (0.54) BTKNUDT5EGFR

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-20250154154-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. 2025-05-15 — — 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-20250154154-A1 SRC INHIBITORS AND USES THEREOF SRC, LCK, FYN BTK 7/4885NUDT5 2235/4885EGFR 51/4885

“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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