SCHEMBL25858404

SCHEMBL25858404

CC(C)(C)n1nc(-c2ccc3cc(C(O)NCc4ccccc4)[nH]c3c2)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 18/20 0.70
▸ KDR P35968 18/20 0.70
▸ PIK3CD O00329 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ SRC P12931 1/20 0.56
▸ PIK3CA P42336 1/20 0.56
▸ PIK3CB P42338 1/20 0.56
▸ PIK3CG P48736 1/20 0.56
▸ PRKDC P78527 1/20 0.56

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
SCHEMBL25858424 0.92 RET (0.71) RETKDRPIK3CDABL1SRC
SCHEMBL24467467 0.88 RET (0.70) RETKDR
SCHEMBL25858507 0.88 RET (0.69) RETKDRPIK3CDABL1SRC
SCHEMBL25858381 0.88 RET (0.69) RETKDR
SCHEMBL25858524 0.88 RET (0.69) RETKDR
SCHEMBL25858443 0.87 RET (0.70) RETKDR
SCHEMBL25858435 0.87 RET (0.69) RETKDR
SCHEMBL25858394 0.87 RET (0.69) RETKDR
SCHEMBL25858431 0.85 RET (0.70) RETKDR
SCHEMBL20534732 0.82 RET (1.00) RETKDR

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-11680068-B2 Compounds useful as RET inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-06-20 — — 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-11680068-B2 Compounds useful as RET inhibitors RET, BCR, REL RET 1/4885KDR 542/4885PIK3CD 624/4885

“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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