SCHEMBL18239405

SCHEMBL18239405

COCCn1ccc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
LPL P06858 6/20 0.38
LIPG Q9Y5X9 6/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
MCL1 Q07820 1/20 0.34
GLO1 Q04760 1/20 0.34
HTR7 P34969 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL20604879 0.90 GLO1 (0.41) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL18239698 0.85 LPL (0.44) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL18230142 0.82 IRAK4 (0.43) IRAK4LPLLIPGMTNR1AMTNR1B
SCHEMBL20612398 0.82 HTR2A (0.53) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL18150899 0.79 ACACB (0.36) LPLLIPGGLO1
SCHEMBL30531492 0.78 IRAK4 (0.39) IRAK4LPLLIPGMTNR1AMTNR1B
SCHEMBL8247537 0.78 IRAK4 (0.39) IRAK4LPLLIPGMTNR1AMTNR1B
SCHEMBL8250873 0.78 BRD4 (0.42) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL29894116 0.78 IRAK4 (0.46) IRAK4LPLLIPG
SCHEMBL2215446 0.78 IRAK4 (0.46) IRAK4LPLLIPG

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2016180536-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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 IRAK4 1577/4885HTR2A 2968/4885HTR2C 3274/4885

“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.