SCHEMBL20206428

SCHEMBL20206428

CN1CCN(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.42
LIPG Q9Y5X9 13/20 0.42
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ROCK1 Q13464 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
F11 P03951 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL29408060 0.83 NOTUM (0.39) LPLLIPGCA1CA2CA9
SCHEMBL13731679 0.83 NOTUM (0.39) LPLLIPGCA1CA2CA9
SCHEMBL1228458 0.83 NOTUM (0.39) LPLLIPGCA1CA2CA9
SCHEMBL13035958 0.81 CYP11B1 (0.39) LPLLIPGROCK1NOTUM
SCHEMBL30003575 0.81 CYP11B1 (0.39) LPLLIPGROCK1NOTUM
SCHEMBL17948555 0.80 MEN1 (0.38) LPLLIPGCA1CA2CA9
SCHEMBL17675380 0.80 RARA (0.40) LPLLIPGROCK1IDO1TDO2
SCHEMBL426125 0.80 CYP11B1 (0.47) LPLLIPGIDO1TDO2NOTUM
SCHEMBL31180373 0.79 MEN1 (0.43) LPLLIPGROCK1IDO1TDO2
SCHEMBL22290761 0.79 LPL (0.38) LPLLIPGROCK1F11

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 LPL 4519/4885LIPG 2601/4885CA1 4877/4885

“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.