SCHEMBL6345256

SCHEMBL6345256

CC(C)Cn1c(=O)n(C)c(=O)c2c(CN(C)CCO)c(Cc3ccccc3C(F)(F)F)sc21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.69
CYP2C9 P11712 4/20 0.59
CYP3A4 P08684 1/20 0.57

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
SCHEMBL6340745 0.88 SLC16A1 (0.68) SLC16A1CYP2C9CYP3A4
SCHEMBL6340735 0.88 SLC16A1 (0.73) SLC16A1CYP2C9CYP3A4
SCHEMBL6352487 0.86 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4
SCHEMBL6343258 0.85 SLC16A1 (0.74) SLC16A1CYP2C9CYP3A4
SCHEMBL6344750 0.84 SLC16A1 (0.71) SLC16A1CYP2C9CYP3A4
SCHEMBL6345262 0.84 SLC16A1 (0.70) SLC16A1CYP2C9CYP3A4
SCHEMBL6345554 0.83 SLC16A1 (0.75) SLC16A1CYP2C9
SCHEMBL6345293 0.83 SLC16A1 (0.67) SLC16A1CYP2C9CYP3A4
SCHEMBL6344743 0.82 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4
SCHEMBL4801372 0.81 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890923-B2 Compounds ASTRAZENECA AB (SE) 2005-05-10 US claimed
US-20040122028-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-24 US claimed
US-6890923-B2 Compounds ASTRAZENECA AB (SE) 2005-05-10 US disclosed
US-20040122028-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-24 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-20040122028-A1 Novel compounds DPYD, TYMS, TYMP SLC16A1 4709/4885CYP2C9 203/4885CYP3A4 160/4885

“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.