Sugi Predict

Sugi Predict / Compounds / SCHEMBL3571014

SCHEMBL3571014

SCHEMBL3571014

O=[N+]([O-])c1ccccc1Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ CASP7 P55210 1/20 0.62
▸ MAPT P10636 7/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ GAA P10253 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ EPAS1 Q99814 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KAT2B Q92831 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL397773 0.88 MAPK1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4054385 0.88 MAPK1 (0.57) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4057190 0.86 MAPK1 (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4064354 0.85 EPAS1 (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL30615510 0.85 EPAS1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL11901762 0.85 TDP1 (0.54) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4940492 0.85 EPAS1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4057047 0.85 MAPK1 (0.54) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4055608 0.84 MEN1 (0.49) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4056578 0.83 MAPK1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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 34 patents — showing the first 20. 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-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 — — US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 — — US disclosed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 — — US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 — — US disclosed
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 — — US disclosed
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS WYETH (US) 2009-06-18 — — US disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 — — CN disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 — — EP disclosed
EP-0698014-B1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-07-22 — — EP disclosed
US-5641775-A 3-phenylureido-1,5-benzodiazepine-diones useful as gastrin or antagonists GLAXO SPA (IT) 1997-06-24 — — US disclosed
US-5585376-A 1,5-benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO WELLCOME INC. (US) 1996-12-17 — — US disclosed
CN-1120845-A 1,5 benzodiazepine derivatives having CCK and/or gastrin antagonistic activity GLAXO INC (US) 1996-04-17 — — CN disclosed
EP-0698014-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-28 — — EP disclosed
EP-0694040-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 — — EP disclosed
WO-1994025444-A1 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS GLAXO SPA (IT) 1994-11-10 — — WO disclosed
WO-1994024151-A1 1,5 BENZODIAZEPINE DERIVATIVES HAVING CCK AND/OR GASTRIN ANTAGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 — — 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 (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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPK1 919/4885ALDH1A1 538/4885TDP1 506/4885
US-10696675-B2 Imidazopyridopyrimidine derivative compound and use thereof FGFR1, FGFR4, FGFR3 MAPK1 1223/4885ALDH1A1 693/4885TDP1 3345/4885
US-20090156826-A1 METHODS FOR THE PREPARATION OF HYDROXY-SUBSTITUTED ARYL SULFAMIDE COMPOUNDS SLC6A2, SLC6A4, TPH1 MAPK1 2861/4885ALDH1A1 299/4885TDP1 1286/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK MAPK1 169/4885ALDH1A1 1899/4885TDP1 782/4885
US-20190152973-A1 NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF FGFR1, FGFR3, FGFR2 MAPK1 1368/4885ALDH1A1 1012/4885TDP1 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.