SCHEMBL16022100

SCHEMBL16022100

N#CCCn1cc(-c2ccc(-n3nnc4cnc(N[C@@H]5CC[C@@H](C(N)=O)C5)nc43)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.57
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ JAK2 O60674 4/20 0.43
▸ TYK2 P29597 4/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ STAT3 P40763 3/20 0.43
▸ JAK3 P52333 3/20 0.43
▸ EIF2AK4 Q9P2K8 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ SYK P43405 1/20 0.35

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
SCHEMBL17435362 0.93 MAPK6 (0.49) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16013017 0.92 MAPK6 (0.47) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16012115 0.91 MAPK6 (0.60) MAPK6GSK3AGSK3BEIF2AK4AURKA
SCHEMBL16022173 0.91 MAPK6 (0.60) MAPK6GSK3AGSK3BEIF2AK4AURKA
Carbamic Acid SCHEMBL18813050 0.89 MAPK6 (0.50) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16014983 0.89 GSK3A (0.54) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16014979 0.89 GSK3A (0.54) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16014981 0.89 GSK3A (0.54) MAPK6GSK3AGSK3BJAK2TYK2
SCHEMBL16012378 0.88 MAPK6 (0.57) MAPK6GSK3AGSK3BEIF2AK4AURKA
SCHEMBL16012670 0.88 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4

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 9 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-9855268-B2 Triazolo[4,5-d]pyrimidine derivatives MERCK PATENT GMBH (DE) 2018-01-02 — — US disclosed
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
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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