SCHEMBL31523960

SCHEMBL31523960

C=CC(=O)N1CC[C@H](N2CC(C#Cc3c(-c4ccc(Cl)c(OC)c4)c4c(N)ncnc4n3CC)C2)[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.45
▸ RET P07949 1/20 0.44
▸ KIF5B P33176 1/20 0.44
▸ FGFR1 P11362 6/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ BTK Q06187 6/20 0.41
▸ FGFR2 P21802 9/20 0.41
▸ FGFR3 P22607 3/20 0.41
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ BMX P51813 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ KDR P35968 2/20 0.40

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
SCHEMBL24458997 1.00 ITK (0.45) ITKRETKIF5BFGFR1FGFR4
SCHEMBL31523956 0.94 ITK (0.44) ITKRETKIF5BFGFR1FGFR4
SCHEMBL31523780 0.94 ITK (0.44) ITKRETKIF5BFGFR1FGFR4
SCHEMBL24458799 0.94 ITK (0.44) ITKRETKIF5BFGFR1FGFR4
SCHEMBL24458621 0.94 ITK (0.44) ITKRETKIF5BFGFR1FGFR4
SCHEMBL24458620 0.93 ITK (0.45) ITKFGFR1FGFR4BTKFGFR2
SCHEMBL31523980 0.93 ITK (0.45) ITKFGFR1FGFR4BTKFGFR2
SCHEMBL24458503 0.92 RET (0.45) ITKRETKIF5BFGFR1FGFR4
SCHEMBL24458531 0.92 RET (0.45) ITKRETKIF5BFGFR1FGFR4
SCHEMBL31523837 0.92 RET (0.45) ITKRETKIF5BFGFR1FGFR4

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 ITK 274/4885RET 56/4885KIF5B 1634/4885

“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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