SCHEMBL31523896

SCHEMBL31523896

C=CC(=O)N1CCN(C2CC(C#Cc3c(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc4n3C)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.54
▸ EGFR P00533 6/20 0.54
▸ TEC P42680 4/20 0.50
▸ BMX P51813 4/20 0.50
▸ ITK Q08881 4/20 0.50
▸ LYN P07948 3/20 0.50
▸ ERBB4 Q15303 3/20 0.50
▸ TXK P42681 2/20 0.50
▸ FGFR2 P21802 2/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ GP6 Q9HCN6 2/20 0.50
▸ NUDT5 Q9UKK9 2/20 0.50
▸ ABL1 P00519 2/20 0.50
▸ ERBB2 P04626 2/20 0.50
▸ LCK P06239 2/20 0.50
▸ FYN P06241 2/20 0.50
▸ CSF1R P07333 2/20 0.50
▸ RET P07949 2/20 0.50
▸ HCK P08631 2/20 0.50
▸ SRC P12931 2/20 0.50

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
SCHEMBL24458467 1.00 BTK (0.54) BTKEGFRTECBMXITK
SCHEMBL24458619 0.91 BTK (0.59) BTKEGFRTECBMXITK
SCHEMBL24458654 0.90 BTK (0.59) BTKEGFRTECBMXITK
SCHEMBL24458514 0.89 BTK (0.49) BTKEGFRTECBMXITK
SCHEMBL31523898 0.89 BTK (0.49) BTKEGFRTECBMXITK
SCHEMBL24458377 0.89 BTK (0.49) BTKEGFRTECBMXITK
SCHEMBL24458769 0.89 BTK (0.57) BTKEGFRTECBMXITK
SCHEMBL24458566 0.88 BTK (0.57) BTKEGFRTECBMXITK
SCHEMBL24458617 0.88 BTK (0.58) BTKEGFRTECBMXITK
SCHEMBL24458352 0.88 BTK (0.56) BTKEGFRTECBMXITK

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 7/4885EGFR 51/4885TEC 44/4885

“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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