SCHEMBL22166116

SCHEMBL22166116

CCC(C)c1c(F)cc(C#N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
PGR P06401 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNK3 O14649 1/20 0.30

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
SCHEMBL19304415 0.85 SLC6A3 (0.31) CYP2A6TTRALB
SCHEMBL12263154 0.79 TTR (0.37) CYP2A6TTRALBPGRGAA
SCHEMBL15157794 0.79 CYP2A6 (0.31) CYP2A6TTRALBPGRGAA
SCHEMBL12819962 0.77 PKM (0.34) GAAUSP2ALDH1A1PKMHPGD
SCHEMBL19388475 0.77 PKM (0.34) GAAUSP2ALDH1A1PKMHPGD
SCHEMBL18552812 0.77 CYP2A6 (0.37) CYP2A6GAASMN1; SMN2KCNK3
SCHEMBL27847325 0.76 TTR (0.34) TTRALBGAASMN1; SMN2
SCHEMBL26360496 0.76 TTR (0.34) TTRALBGAASMN1; SMN2
SCHEMBL17469351 0.75 ALDH1A1 (0.41) GAAUSP2ALDH1A1PKMHPGD
SCHEMBL22166132 0.74 PGR (0.37) PGRGAAUSP2ALDH1A1PKM

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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 CYP2A6 3258/4885TTR 4367/4885ALB 2906/4885

“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.