SCHEMBL1268215

SCHEMBL1268215

CC1(C)C(=O)N(c2ccnc(N)c2)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 5/20 0.37
▸ MTOR P42345 1/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ AR P10275 5/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ PIK3CD O00329 1/20 0.31

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
SCHEMBL25312905 0.73 AR (0.36) EGLN1AR
SCHEMBL30227657 0.73 AR (0.36) EGLN1AR
SCHEMBL1269285 0.72 KMT2A (0.49) MEN1KMT2A
SCHEMBL1268493 0.72 EGLN1 (0.50) EGLN1
SCHEMBL25890257 0.70 LMNA (0.39) KDM4EMEN1KMT2A
SCHEMBL30227445 0.69 PTH1R (0.34) EGLN1AR
SCHEMBL25313095 0.69 PTH1R (0.34) EGLN1AR
SCHEMBL30132770 0.68 MEN1 (0.37) KDM4EMEN1KMT2A
SCHEMBL25315001 0.68 MEN1 (0.37) KDM4EMEN1KMT2A
SCHEMBL25891443 0.67 ALDH1A1 (0.43) MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP EGLN1 1979/4885MTOR 152/4885NOS3 858/4885

“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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