SCHEMBL18239756

SCHEMBL18239756

CC1(C)OB(c2ccc3ccn(C(F)F)c3c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ROCK1 Q13464 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ESR2 Q92731 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL18239340 0.88 IRAK4 (0.44) IRAK4LPLLIPGCA1CA2
SCHEMBL2215446 0.79 IRAK4 (0.46) IRAK4LPLLIPGCA1CA2
SCHEMBL29894116 0.79 IRAK4 (0.46) IRAK4LPLLIPGCA1CA2
SCHEMBL31500583 0.77 LPL (0.40) IRAK4LPLLIPGCA1CA2
SCHEMBL17673204 0.77 LPL (0.40) IRAK4LPLLIPGCA1CA2
SCHEMBL25346928 0.75 IRAK4 (0.43) IRAK4LPLLIPGCA1CA2
SCHEMBL18230142 0.75 IRAK4 (0.43) IRAK4LPLLIPGROCK1
SCHEMBL29734945 0.75 IRAK4 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL26921066 0.75 IRAK4 (0.39) IRAK4LPLLIPGIDO1TDO2
SCHEMBL22150123 0.75 AAK1 (0.36) IRAK4LPLLIPGROCK1CA1

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-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 IRAK4 1577/4885LPL 4519/4885LIPG 2601/4885

“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.