SCHEMBL16022218

SCHEMBL16022218

COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](C(N)=O)C4)nc32)cc1F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.71
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ PDE4B Q07343 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ EIF2AK4 Q9P2K8 4/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL16012463 0.92 MAPK6 (0.64) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL16014961 0.91 MAPK6 (0.72) MAPK6GSK3AGSK3BPDE4BPDE4D
SCHEMBL16013240 0.89 MAPK6 (0.67) MAPK6GSK3AGSK3BPDGFRBPDGFRA
Carbamic Acid SCHEMBL18813140 0.88 MAPK6 (0.63) MAPK6GSK3AGSK3BPDE4BPDE4D
SCHEMBL16012120 0.86 MAPK6 (0.91) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL16012454 0.86 MAPK6 (0.91) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL16014934 0.86 MAPK6 (0.91) MAPK6GSK3AGSK3BMAPK8MAPK9
SCHEMBL18830274 0.85 MAPK6 (0.60) MAPK6GSK3AGSK3BPDE4BPDE4D
SCHEMBL18830177 0.84 MAPK6 (0.73) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012156 0.84 MAPK6 (0.65) MAPK6GSK3AGSK3BMAPK8MAPK9

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 8 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 claimed
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
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
US-20160015712-A1 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
WO-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — WO 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 2535/4885GSK3A 3256/4885GSK3B 2810/4885

“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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