SCHEMBL3490740

SCHEMBL3490740

Cc1nc2c(C(F)(F)F)cccc2nc1-c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.83
NR1H3 Q13133 10/20 0.64
KIF11 P52732 1/20 0.48
SYK P43405 1/20 0.44

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
SCHEMBL3492028 0.93 NR1H2 (0.83) NR1H2NR1H3KIF11
SCHEMBL3491902 0.92 NR1H2 (0.89) NR1H2NR1H3
SCHEMBL3492016 0.91 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL3489919 0.86 NR1H2 (0.91) NR1H2NR1H3
SCHEMBL2325278 0.84 NR1H2 (0.78) NR1H2NR1H3KIF11
SCHEMBL2320667 0.83 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL3490943 0.82 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL3491844 0.82 NR1H2 (0.79) NR1H2NR1H3KIF11
SCHEMBL3492398 0.81 NR1H2 (0.72) NR1H2NR1H3KIF11SYK
SCHEMBL2318560 0.81 NR1H2 (0.66) NR1H2NR1H3

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
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 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-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885KIF11 2680/4885

“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.