SCHEMBL16012387

SCHEMBL16012387

COc1ccc(-n2nnc3cnc(NC4CCCN(C(C)=O)C4)nc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.67
▸ GSK3A P49840 2/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ MAPK3 P27361 2/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.47
▸ CCNA2 P20248 4/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ CCNK O75909 3/20 0.46
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 3/20 0.46
▸ MNAT1 P51948 3/20 0.46
▸ CDK12 Q9NYV4 3/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CCNA1 P78396 1/20 0.46

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
SCHEMBL16012282 0.89 MAPK6 (0.62) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL16012281 0.89 MAPK6 (0.62) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL16022177 0.89 MAPK6 (0.62) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL5823050 0.88 MAPK6 (0.51) MAPK6GSK3AGSK3BMAPK3
SCHEMBL16012457 0.87 MAPK6 (0.73) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL16012187 0.87 MAPK6 (0.73) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL16022061 0.86 MAPK6 (0.70) MAPK6GSK3AGSK3BEIF2AK4CDK2
Bicarbonate SCHEMBL18813022 0.86 MAPK6 (0.78) MAPK6GSK3AGSK3BEIF2AK4CCNA2
SCHEMBL16012040 0.85 MAPK6 (0.70) MAPK6GSK3AGSK3BEIF2AK4AURKA
Formic Acid SCHEMBL16012421 0.85 MAPK6 (0.65) MAPK6GSK3AGSK3BEIF2AK4CCNA2

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 15 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
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 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
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 — — WO 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.

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