SCHEMBL17448119

SCHEMBL17448119

Cc1ccc2cc(-n3nnc4cnc(N[C@@H]5CC[C@@H](C(=O)N[C@H]6CC[C@H](O)C6)C5)nc43)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.51
▸ GSK3B P49841 2/20 0.51
▸ MAPK6 Q16659 10/20 0.50
▸ EIF2AK4 Q9P2K8 8/20 0.47

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
SCHEMBL18830501 1.00 GSK3A (0.51) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16014913 1.00 GSK3A (0.51) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012659 0.92 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL17435275 0.92 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16013042 0.92 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18813081 0.89 GSK3A (0.55) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012401 0.88 MAPK6 (0.55) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16013764 0.87 MAPK6 (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012012 0.87 MAPK6 (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16011889 0.87 MAPK6 (0.63) GSK3AGSK3BMAPK6EIF2AK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — 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-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives EIF2AK4, GCN1, GTF2I GSK3A 3256/4885GSK3B 2810/4885MAPK6 2535/4885

“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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