Sugi Predict

Sugi Predict / Compounds / SCHEMBL2522013

SCHEMBL2522013

SCHEMBL2522013

O=C(O)c1nc(Br)[nH]c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 8/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GPR35 Q9HC97 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30
▸ RNASEH1 O60930 1/20 0.30
▸ ERCC1 P07992 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL28824035 0.81 NPSR1 (0.47) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL3102391 0.79 PIN1 (0.33) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL10710790 0.76 GPR35 (0.37) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL11475671 0.74 PIN1 (0.50) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL28169947 0.74 PIN1 (0.50) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL2811194 0.73 PIN1 (0.48) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL213561 0.73 PIN1 (0.48) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL9280474 0.73 PIN1 (0.48) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL10403221 0.73 PIN1 (0.48) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL11491730 0.71 PIN1 (0.47) PIN1CYP1A2MAPK1CASP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3871673-B1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2024-01-03 — — EP disclosed
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-15 — — US disclosed
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2021-12-23 — — US disclosed
WO-2021215545-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 — — WO disclosed
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 — — WO disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 — — EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 — — EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 — — US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 — — US disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 — — EP disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 — — US disclosed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 — — US disclosed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — US disclosed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 — — US disclosed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 — — 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 (6 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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 PIN1 97/4885CYP1A2 199/4885MAPK1 2855/4885
US-20150284358-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 PIN1 1628/4885CYP1A2 835/4885MAPK1 444/4885
US-20230181536-A1 ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C KRAS, NRAS, HRAS PIN1 2819/4885CYP1A2 4368/4885MAPK1 252/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 PIN1 1628/4885CYP1A2 835/4885MAPK1 444/4885
US-20210395234-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF HDAC11, RCOR3, BICRA PIN1 1585/4885CYP1A2 468/4885MAPK1 170/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 PIN1 151/4885CYP1A2 244/4885MAPK1 2447/4885

“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.