SCHEMBL16012467

SCHEMBL16012467

NC1CCC(Nc2ncc3nnn(-c4ccc(F)cc4)c3n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.76
▸ GSK3A P49840 3/20 0.63
▸ GSK3B P49841 3/20 0.63
▸ MAPK8 P45983 6/20 0.52
▸ MAPK10 P53779 6/20 0.52
▸ MAPK9 P45984 5/20 0.52
▸ MAPK14 Q16539 4/20 0.52
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ AURKA O14965 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
SCHEMBL16012466 1.00 MAPK6 (0.76) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL5820264 0.89 GSK3A (0.80) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16012898 0.89 MAPK6 (0.76) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16022211 0.89 MAPK6 (0.76) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL5806576 0.89 GSK3A (0.79) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16012025 0.86 MAPK6 (1.00) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16011970 0.86 MAPK6 (1.00) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16011969 0.86 MAPK6 (1.00) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL18830345 0.86 MAPK6 (1.00) MAPK6GSK3AGSK3BMAPK8MAPK10
SCHEMBL16022069 0.85 MAPK6 (0.70) MAPK6GSK3AGSK3BMAPK8MAPK10

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-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
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.

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