SCHEMBL16012115

SCHEMBL16012115

NC(=O)[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc(-c5cnn(CCO)c5)cc4)c3n2)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.60
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ AXL P30530 6/20 0.39
▸ TYRO3 Q06418 6/20 0.39
▸ MERTK Q12866 6/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ AURKA O14965 1/20 0.38

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
SCHEMBL16022173 1.00 MAPK6 (0.60) MAPK6GSK3AGSK3BPIK3CAMTOR
SCHEMBL16012309 0.91 MAPK6 (0.49) MAPK6GSK3AGSK3BPIK3CAMTOR
SCHEMBL16012308 0.91 MAPK6 (0.49) MAPK6GSK3AGSK3BPIK3CAMTOR
SCHEMBL16012670 0.91 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012378 0.91 MAPK6 (0.57) MAPK6GSK3AGSK3BEIF2AK4AURKA
SCHEMBL16022100 0.91 MAPK6 (0.57) MAPK6GSK3AGSK3BEIF2AK4AURKA
SCHEMBL17435265 0.90 MAPK6 (0.52) MAPK6GSK3AGSK3BAXLTYRO3
SCHEMBL18830217 0.89 MAPK6 (0.57) MAPK6GSK3AGSK3BPIK3CAMTOR
SCHEMBL16012271 0.89 MAPK6 (0.59) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16022316 0.89 MAPK6 (0.63) MAPK6GSK3AGSK3BAXLTYRO3

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 10 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
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP 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.

Send feedback