SCHEMBL17845906

SCHEMBL17845906

Cc1ccc(C(=O)O)c(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
HAAO P46952 1/20 0.40
CYP1A2 P05177 1/20 0.39
CLCN2 P51788 2/20 0.39
ADRA2A P08913 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NOTUM Q6P988 1/20 0.38
SORT1 Q99523 1/20 0.37
MCL1 Q07820 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL31225023 0.84 KDM4E (0.40) HPGDHTTHAAOCYP1A2CLCN2
SCHEMBL1671271 0.84 KDM4E (0.40) HPGDHTTHAAOCYP1A2CLCN2
SCHEMBL2477973 0.84 HPGD (0.42) HPGDHTTALDH1A1HDAC3HDAC4
SCHEMBL27577439 0.81 CYP1A2 (0.44) HPGDHAAOCYP1A2KDM4EALDH1A1
SCHEMBL489533 0.81 HPGD (0.55) HPGDHTTHAAOCYP1A2CLCN2
SCHEMBL9041660 0.80 HTT (0.43) HPGDHTTCYP1A2KDM4EALDH1A1
SCHEMBL7822093 0.79 HPGD (0.44) HPGDHTTHAAOCYP1A2CLCN2
SCHEMBL30367318 0.79 HPGD (0.44) HPGDHTTHAAOCYP1A2CLCN2
SCHEMBL11285953 0.79 NCEH1 (0.44) HPGDHAAOCYP1A2KDM4EALDH1A1
SCHEMBL7558115 0.79 CES2 (0.50) CYP1A2KDM4EALDH1A1ASPHKDM8

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity JANSSEN PHARMACEUTICA NV (BE) 2022-03-08 US disclosed
EP-3359533-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-17 EP disclosed
CN-108349946-B Quinoxaline and pyridopyrazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2021-05-18 CN disclosed
CN-107108634-B Imidazopyridazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2020-09-15 CN disclosed
US-20200079763-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS A PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-03-12 US disclosed
CN-106946867-B FXR receptor modulators and its preparation method and application 广州市恒诺康医药科技有限公司 2019-11-12 CN disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-10087187-B2 Imidazopyridazine derivatives as PI3KB inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-10-02 US disclosed
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 US disclosed
EP-3233862-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS 3 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2017-10-25 EP disclosed
CN-106946867-A FXR receptor modulators and its production and use 广州市恒诺康医药科技有限公司 2017-07-14 CN disclosed
CN-106749233-A One class sulfamide derivative and its application 中山大学 2017-05-31 CN disclosed
WO-2017060406-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-04-13 WO disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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 (4 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-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity PIK3CD, PIK3CA, PIK3CB HPGD 1293/4885HTT 3676/4885HAAO 1861/4885
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA HPGD 1461/4885HTT 3918/4885HAAO 3380/4885
US-20200079763-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS A PI3KB INHIBITORS PIK3CB, PIK3CA, PIK3R5 HPGD 943/4885HTT 3501/4885HAAO 2079/4885
US-10087187-B2 Imidazopyridazine derivatives as PI3KB inhibitors PIK3CB, PIK3CD, PIK3CA HPGD 1461/4885HTT 3918/4885HAAO 3380/4885

“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.