Sugi Predict

Sugi Predict / Compounds / SCHEMBL4947111

SCHEMBL4947111

SCHEMBL4947111

O=[N+]([O-])c1cccc(F)c1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 4/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ HCAR3 P49019 1/20 0.43

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
SCHEMBL10815162 0.88 CXCR2 (0.67) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL4055608 0.83 MEN1 (0.49) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11902238 0.82 L3MBTL1 (0.51) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11901308 0.80 MEN1 (0.66) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11900645 0.80 CXCR2 (0.58) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL10774150 0.80 CXCR2 (0.86) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL9995024 0.80 CXCR2 (0.58) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11901893 0.80 L3MBTL1 (0.49) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11900535 0.80 L3MBTL1 (0.52) CXCR2L3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL11901873 0.80 MEN1 (0.54) CXCR2L3MBTL1TDP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696675-B2 Imidazopyridopyrimidine derivative compound and use thereof HANMI PHARMACEUTICAL CO., LTD. (KR) 2020-06-30 — — US disclosed
US-20190152973-A1 NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 2019-05-23 — — US disclosed
EP-3476846-A1 NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF Hanmi Pharmaceutical Co., Ltd. (KR) 2019-05-01 — — EP disclosed
US-20180123053-A1 BIPOLAR MATERIALS AND ORGANIC LIGHT EMITTING DIODES YUAN ZE UNIVERSITY (TW) 2018-05-03 — — US disclosed
US-20180123053-A1 BIPOLAR MATERIALS AND ORGANIC LIGHT EMITTING DIODES YUAN ZE UNIVERSITY (TW) 2018-05-03 — — US disclosed
CN-103476767-B Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2015-06-10 — — CN disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 — — US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 — — EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 — — CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 — — 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 (5 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 CXCR2 837/4885L3MBTL1 4139/4885TDP1 2020/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CXCR2 4360/4885L3MBTL1 4326/4885TDP1 367/4885
US-10696675-B2 Imidazopyridopyrimidine derivative compound and use thereof FGFR1, FGFR4, FGFR3 CXCR2 476/4885L3MBTL1 4791/4885TDP1 3345/4885
US-20180123053-A1 BIPOLAR MATERIALS AND ORGANIC LIGHT EMITTING DIODES MAP1LC3A, MAP1LC3B, MAP1LC3C CXCR2 3926/4885L3MBTL1 669/4885TDP1 1912/4885
US-20190152973-A1 NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF FGFR1, FGFR3, FGFR2 CXCR2 190/4885L3MBTL1 4451/4885TDP1 3646/4885

“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.