SCHEMBL29552045

SCHEMBL29552045

COC(=O)[C@@H]1CC(N2CC(C#Cc3c(-c4ccc(Cl)c(OC)c4)c4c(N)ncnc4n3C)C2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.43
▸ KIF5B P33176 1/20 0.43
▸ SRC P12931 17/20 0.41
▸ ABL1 P00519 6/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL2 P42684 2/20 0.40
▸ PTK6 Q13882 3/20 0.39

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
SCHEMBL24459016 0.90 SRC (0.48) RETKIF5BSRCABL1EGFR
SCHEMBL24459026 0.89 SRC (0.50) RETKIF5BSRCABL1EGFR
SCHEMBL29552703 0.86 SRC (0.45) RETKIF5BSRC
SCHEMBL24458957 0.82 SRC (0.46) RETKIF5BSRCABL1EGFR
SCHEMBL24458658 0.81 FGFR2 (0.45) RETKIF5BSRC
SCHEMBL24458601 0.80 RET (0.49) RETKIF5B
SCHEMBL29552667 0.79 SRC (0.43) RETKIF5BSRCABL1EGFR
SCHEMBL24458900 0.75 RET (0.46) RETKIF5B
SCHEMBL24458531 0.74 RET (0.45) RETKIF5B
SCHEMBL24458503 0.74 RET (0.45) RETKIF5B

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 3 patents. 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
EP-4247816-A1 SRC INHIBITORS AND USES THEREOF Relay Therapeutics, Inc. (US) 2023-09-27 — — EP disclosed
WO-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — 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-20250154154-A1 SRC INHIBITORS AND USES THEREOF SRC, LCK, FYN RET 56/4885KIF5B 1634/4885SRC 1/4885

“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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