SCHEMBL25858467

SCHEMBL25858467

CC(C)(C)n1nc(-c2ccc3cc(C(O)Nc4nncs4)[nH]c3c2)c2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.71
▸ RET P07949 17/20 0.71

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
SCHEMBL25858535 0.88 KDR (0.70) KDRRET
SCHEMBL25858507 0.85 RET (0.69) KDRRET
SCHEMBL29904389 0.83 KDR (1.00) KDRRET
SCHEMBL21958113 0.83 KDR (1.00) KDRRET
SCHEMBL25858477 0.83 RET (0.70) KDRRET
SCHEMBL25858499 0.82 KDR (0.70) KDRRET
SCHEMBL24467467 0.81 RET (0.70) KDRRET
SCHEMBL25858381 0.81 RET (0.69) KDRRET
SCHEMBL25858524 0.81 RET (0.69) KDRRET
SCHEMBL25858431 0.81 RET (0.70) KDRRET

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 KDR 542/4885RET 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.

Send feedback