SCHEMBL16015003

SCHEMBL16015003

OC1CCC(Nc2ncc3nnn(-c4ccc(I)cc4)c3n2)C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 5/20 0.70
▸ GSK3B P49841 5/20 0.70
▸ MAPK6 Q16659 10/20 0.59
▸ AURKA O14965 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MKNK1 Q9BUB5 4/20 0.41
▸ MKNK2 Q9HBH9 4/20 0.41

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
SCHEMBL16015002 1.00 GSK3A (0.70) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012747 1.00 GSK3A (0.70) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012307 0.89 GSK3A (0.70) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012306 0.89 GSK3A (0.70) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012325 0.89 GSK3A (0.70) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012653 0.88 GSK3A (0.67) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16012654 0.88 GSK3A (0.67) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16022047 0.88 GSK3A (0.59) GSK3AGSK3BMAPK6CYP2C9CCNE1
SCHEMBL17435242 0.88 GSK3A (0.67) GSK3AGSK3BMAPK6AURKACYP2C9
SCHEMBL16022063 0.87 MAPK6 (0.68) GSK3AGSK3BMAPK6AURKA

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 5 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 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 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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