SCHEMBL25947622

SCHEMBL25947622

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc([N+](=O)[O-])cc3C)n1)CN(C)CC2

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 15/20 0.65
▸ ALK Q9UM73 4/20 0.62
▸ MET P08581 2/20 0.54
▸ EGFR P00533 1/20 0.52

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
SCHEMBL30875695 0.90 MAP4K1 (0.62) MAP4K1ALKMETEGFR
SCHEMBL25338027 0.89 MAP4K1 (0.77) MAP4K1ALK
SCHEMBL30184069 0.89 MAP4K1 (0.77) MAP4K1ALK
Phosphine SCHEMBL25950831 0.89 MAP4K1 (0.61) MAP4K1ALKMETEGFR
SCHEMBL25947465 0.86 MAP4K1 (0.67) MAP4K1ALKMET
SCHEMBL25947625 0.86 MAP4K1 (0.67) MAP4K1ALKMET
SCHEMBL25947576 0.85 MAP4K1 (0.66) MAP4K1ALKMET
SCHEMBL25947629 0.85 MAP4K1 (0.63) MAP4K1ALKMET
SCHEMBL25947617 0.85 MAP4K1 (0.65) MAP4K1ALK
SCHEMBL25947612 0.84 ALK (0.66) MAP4K1ALK

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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — 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-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 MAP4K1 1/4885ALK 2067/4885MET 2541/4885

“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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