SCHEMBL17435403

SCHEMBL17435403

CCOc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)cn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.59
▸ GSK3B P49841 3/20 0.59
▸ MAPK6 Q16659 12/20 0.55
▸ EIF2AK4 Q9P2K8 2/20 0.44
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ SYK P43405 1/20 0.38

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
SCHEMBL18830636 1.00 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL16012118 1.00 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL16012117 1.00 GSK3A (0.59) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL16011971 0.89 MAPK6 (0.65) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18830395 0.89 MAPK6 (0.65) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16011973 0.89 MAPK6 (0.65) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16011972 0.89 MAPK6 (0.65) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL18830110 0.88 MAPK6 (0.66) GSK3AGSK3BMAPK6EIF2AK4SYK
SCHEMBL16011979 0.88 MAPK6 (0.66) GSK3AGSK3BMAPK6EIF2AK4SYK
SCHEMBL18830111 0.88 MAPK6 (0.56) GSK3AGSK3BMAPK6EIF2AK4MAPK8

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
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

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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