SCHEMBL16022062

SCHEMBL16022062

O[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc5nsnc5c4)c3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.61
▸ GSK3B P49841 4/20 0.61
▸ MAPK6 Q16659 10/20 0.52
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ MAPK8 P45983 3/20 0.39
▸ MAPK9 P45984 3/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ EIF2AK4 Q9P2K8 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
SCHEMBL17435261 1.00 GSK3A (0.61) GSK3AGSK3BMAPK6PIM1PIM3
SCHEMBL18830200 0.89 MAPK6 (0.55) GSK3AGSK3BMAPK6SYKAURKA
SCHEMBL16012464 0.87 MAPK6 (0.63) GSK3AGSK3BMAPK6SYKEIF2AK4
SCHEMBL16012023 0.87 MAPK6 (0.63) GSK3AGSK3BMAPK6SYKEIF2AK4
SCHEMBL16012089 0.84 GSK3A (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012091 0.84 GSK3A (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012090 0.84 GSK3A (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18830215 0.84 GSK3A (0.63) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16012659 0.83 GSK3A (0.59) GSK3AGSK3BMAPK6PIM1PIM3
SCHEMBL17435288 0.83 GSK3A (0.59) GSK3AGSK3BMAPK6PIM1PIM3

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 3 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 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 GSK3A 3256/4885GSK3B 2810/4885MAPK6 2535/4885

“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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