SCHEMBL25947559

SCHEMBL25947559

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(O)cc3C)n1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.57
▸ MET P08581 2/20 0.57
▸ MAP4K1 Q92918 5/20 0.54
▸ INSR P06213 9/20 0.53

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
SCHEMBL25947465 0.89 MAP4K1 (0.67) ALKMETMAP4K1
SCHEMBL30875684 0.78 ALK (0.61) ALKMETMAP4K1INSR
SCHEMBL25947625 0.78 MAP4K1 (0.67) ALKMETMAP4K1
SCHEMBL30875675 0.78 MAP4K1 (0.65) ALKMETMAP4K1
Phosphine SCHEMBL25950554 0.78 ALK (0.60) ALKMAP4K1INSR
SCHEMBL24040087 0.77 MAP4K1 (0.85) ALKMAP4K1INSR
SCHEMBL25947556 0.77 MAP4K1 (0.69) ALKMETMAP4K1
SCHEMBL25947576 0.77 MAP4K1 (0.66) ALKMETMAP4K1
Hydrochloric Acid SCHEMBL29172302 0.77 MAP4K1 (0.64) ALKMETMAP4K1
SCHEMBL30183975 0.77 MAP4K1 (0.62) ALKMAP4K1INSR

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 ALK 2067/4885MET 2541/4885MAP4K1 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.

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