SCHEMBL18228366

SCHEMBL18228366

Cn1ccc2ncc(B(O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.38
MAPT P10636 1/20 0.37
ENPP2 Q13822 1/20 0.33
CA2 P00918 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN1 Q05586 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
PFKFB3 Q16875 2/20 0.31
DYRK1A Q13627 1/20 0.30
TTR P02766 1/20 0.30
PRKCI P41743 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
SCHEMBL31394352 1.00 PIK3CB (0.38) PIK3CBMAPTENPP2CA2LPL
SCHEMBL2251360 0.77 DYRK1A (0.47) MAPTENPP2DYRK1ATTRPRKCI
SCHEMBL7924961 0.74 CYP1A2 (0.42) PIK3CBMAPTGRIN2BDYRK1APRKCI
SCHEMBL19949854 0.74
SCHEMBL31367922 0.74
SCHEMBL23346665 0.73 PIK3CB (0.49) PIK3CBMAPTGRIN2BGRIN1DYRK1A
SCHEMBL19152184 0.73 HPGD (0.44) PIK3CBMAPTGRIN2BGRIN1
SCHEMBL19630106 0.73 PIK3CB (0.41) PIK3CBGRIN2BGRIN1
SCHEMBL2371256 0.73 HSD17B10 (0.44) PIK3CBMAPTGRIN2BGRIN1DYRK1A
SCHEMBL2694345 0.72 APP (0.40) PIK3CBMAPTCA2PRKCI

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 6 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
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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 PIK3CB 1653/4885MAPT 4457/4885ENPP2 538/4885

“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.