SCHEMBL24409336

SCHEMBL24409336

COc1cccc(CN2C3CC2CN(c2ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 18/20 0.49
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.41

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
SCHEMBL24409186 0.92 RET (0.59) RET
SCHEMBL30630899 0.92 RET (0.59) RET
SCHEMBL24409251 0.91 RET (0.49) RET
SCHEMBL30630827 0.91 RET (0.49) RET
SCHEMBL24409331 0.91 RET (0.49) RET
SCHEMBL24409232 0.90 RET (0.57) RETAURKAAURKB
SCHEMBL24409235 0.90 RET (0.57) RET
SCHEMBL24409419 0.90 RET (0.48) RET
SCHEMBL24409233 0.90 RET (0.49) RETAURKA
SCHEMBL24409231 0.88 RET (0.50) RET

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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 RET 8/4885AURKA 4415/4885AURKB 4246/4885

“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.