SCHEMBL25442500

SCHEMBL25442500

C[C@@H]1c2ncccc2C(=O)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 16/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL29865594 1.00 MAP4K1 (0.38) MAP4K1GSK3BTDP2NSD2ABL1
SCHEMBL25442498 1.00 MAP4K1 (0.38) MAP4K1GSK3BTDP2NSD2ABL1
SCHEMBL25442499 0.82 GSK3B (0.30) GSK3B
SCHEMBL23666700 0.75 MAP4K1 (0.44) MAP4K1
SCHEMBL23667229 0.74 MAP4K1 (0.45) MAP4K1
SCHEMBL23649483 0.74 MAP4K1 (0.43) MAP4K1
SCHEMBL23649482 0.74 MAP4K1 (0.43) MAP4K1
SCHEMBL23649686 0.74 MAP4K1 (0.43) MAP4K1
SCHEMBL23667232 0.74 MAP4K1 (0.41) MAP4K1
SCHEMBL29804147 0.74 MAP4K1 (0.43) MAP4K1

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-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 — — 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-20230140954-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 MAP4K1 1/4885GSK3B 488/4885TDP2 1085/4885

“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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