SCHEMBL4929263

SCHEMBL4929263

Nc1ncc(C2CCCCC2)c(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.47
▸ FEN1 P39748 8/20 0.37
▸ ATR Q13535 1/20 0.35
▸ ALOX5AP P20292 6/20 0.33
▸ PI4KA P42356 2/20 0.33
▸ PI4K2B Q8TCG2 2/20 0.33
▸ PI4K2A Q9BTU6 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ ADK P55263 1/20 0.32

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
SCHEMBL3229922 0.90 TDO2 (0.35) TDO2
SCHEMBL27542494 0.85 TDO2 (0.44) TDO2FEN1ATRALOX5APADK
SCHEMBL1320584 0.74 TDO2 (0.46) TDO2FEN1ALOX5AP
SCHEMBL3450475 0.74 TDO2 (0.46) TDO2FEN1ALOX5AP
SCHEMBL5775480 0.74 TDO2 (0.42) TDO2FEN1ALOX5APCCNE1CDK2
SCHEMBL5776718 0.74 TDO2 (0.42) TDO2FEN1ALOX5APCCNE1CDK2
SCHEMBL2789204 0.74 TDO2 (0.46) TDO2FEN1ATRALOX5APADK
SCHEMBL5776461 0.74 TDO2 (0.42) TDO2FEN1ALOX5APCCNE1CDK2
SCHEMBL2787969 0.72 TDO2 (0.44) TDO2FEN1ATRALOX5APADK
SCHEMBL1318378 0.72 TDO2 (0.44) TDO2FEN1ALOX5AP

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 TDO2 1267/4885FEN1 4555/4885ATR 1756/4885

“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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