SCHEMBL22023938

SCHEMBL22023938

CCCCC(C)(C)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.59
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NFKB1 P19838 1/20 0.32
QPCT Q16769 1/20 0.32
HSD17B10 Q99714 1/20 0.32
QPCTL Q9NXS2 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
SCHEMBL2229395 0.94 TBXAS1 (0.62) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL27637869 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL5292390 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL27683088 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL27663546 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL5307325 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL5295951 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL21191570 0.93 TBXAS1 (0.65) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
Iodide SCHEMBL27640299 0.93 TBXAS1 (0.60) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6
SCHEMBL4342783 0.88 TBXAS1 (0.54) TBXAS1CYP17A1CYP19A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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 (2 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF TBXAS1 2328/4885CYP17A1 1291/4885CYP19A1 867/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF TBXAS1 2328/4885CYP17A1 1291/4885CYP19A1 867/4885

“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.