SCHEMBL17435241

SCHEMBL17435241

COc1ccc(-n2nnc3cnc(NC4CCN(C(=O)OC(C)(C)C)C4)nc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.64
▸ ALDH1A1 P00352 1/20 0.50
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ EIF2AK4 Q9P2K8 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44

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
SCHEMBL16012904 1.00 MAPK6 (0.64) MAPK6ALDH1A1GSK3AGSK3BPIK3CD
SCHEMBL16012827 1.00 MAPK6 (0.64) MAPK6ALDH1A1GSK3AGSK3BPIK3CD
SCHEMBL16012281 0.95 MAPK6 (0.62) MAPK6ALDH1A1GSK3AGSK3BPIK3CD
SCHEMBL16012282 0.95 MAPK6 (0.62) MAPK6ALDH1A1GSK3AGSK3BPIK3CD
SCHEMBL16022177 0.95 MAPK6 (0.62) MAPK6ALDH1A1GSK3AGSK3BPIK3CD
SCHEMBL16012696 0.95 MAPK6 (0.68) MAPK6ALDH1A1GSK3AGSK3BMAPT
SCHEMBL16012860 0.93 MAPK6 (0.65) MAPK6ALDH1A1GSK3AGSK3BMAPT
SCHEMBL16012187 0.88 MAPK6 (0.73) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012457 0.88 MAPK6 (0.73) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18813038 0.87 MAPK6 (0.62) MAPK6ALDH1A1GSK3AGSK3BEIF2AK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US claimed
US-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
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 MAPK6 2535/4885ALDH1A1 2615/4885GSK3A 3256/4885

“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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