SCHEMBL30711438

SCHEMBL30711438

CNc1ncc(C(C)C)c2cc(C3(C(N)=O)CC3)ncc12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.37
▸ NNMT P40261 2/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL27038213 1.00 EGFR (0.37) EGFRNNMTMAP4K1MAPK1HSD11B1
SCHEMBL27037721 0.84 NNMT (0.32) NNMT
SCHEMBL30698968 0.84 NNMT (0.32) NNMT
SCHEMBL27038227 0.83 NNMT (0.35) NNMT
SCHEMBL31473805 0.83 NNMT (0.35) NNMT
SCHEMBL31473839 0.83 NNMT (0.31) NNMT
SCHEMBL31473654 0.82 NNMT (0.31) NNMT
SCHEMBL31473665 0.82 DPP4 (0.34) NNMT
SCHEMBL31473753 0.81 NNMT (0.30) NNMT
SCHEMBL31473861 0.81 KDM4E (0.34) EGFRNNMTMAP4K1MAPK1

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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — 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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 EGFR 495/4885NNMT 1091/4885MAP4K1 27/4885

“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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