SCHEMBL16012329

SCHEMBL16012329

CN1CCN(CCC(=O)N2CC[C@@H](Nc3ncc4nnn(-c5ccc(-c6cnn(C)c6)cc5)c4n3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.45
▸ GSK3B P49841 4/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ WNT1 P04628 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ CCNK O75909 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37

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
SCHEMBL17435333 1.00 MAPK6 (0.45) MAPK6GSK3BGSK3AWNT1DYRK1A
SCHEMBL16013127 0.89 MAPK6 (0.46) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL16013128 0.89 MAPK6 (0.46) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL16012202 0.88 MAPK6 (0.43) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL17435273 0.88 MAPK6 (0.43) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL16012196 0.88 MAPK6 (0.60) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL16012197 0.88 MAPK6 (0.60) MAPK6GSK3BGSK3ACCNKCDK12
SCHEMBL16022114 0.87 GPR119 (0.45) MAPK6GSK3BGSK3A
SCHEMBL16014928 0.84 EIF2AK4 (0.47) MAPK6GSK3BGSK3A
SCHEMBL16012952 0.84 MAPK6 (0.44) MAPK6GSK3BGSK3ACCNKCDK12

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 13 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
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 2535/4885GSK3B 2810/4885GSK3A 3256/4885

“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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