SCHEMBL16014900

SCHEMBL16014900

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.68
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ EIF2AK4 Q9P2K8 4/20 0.40
▸ MAPK8 P45983 3/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ MAPK9 P45984 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL16013042 0.89 GSK3A (0.59) MAPK6GSK3AGSK3BEIF2AK4MAPK8
SCHEMBL17435275 0.89 GSK3A (0.59) MAPK6GSK3AGSK3BEIF2AK4MAPK8
SCHEMBL16012659 0.89 GSK3A (0.59) MAPK6GSK3AGSK3BEIF2AK4MAPK8
SCHEMBL16012012 0.88 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16011889 0.88 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16013764 0.88 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830045 0.88 MAPK6 (0.54) MAPK6GSK3AGSK3BEIF2AK4MAPK8
SCHEMBL18830178 0.87 MAPK6 (0.53) MAPK6GSK3AGSK3BEIF2AK4MAPK8
SCHEMBL16012401 0.86 MAPK6 (0.55) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16022186 0.86 MAPK6 (0.66) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

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