Sugi Predict

Sugi Predict / Compounds / SCHEMBL8166295

SCHEMBL8166295

SCHEMBL8166295

O=C1/C(=N/O)Cc2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ PARP1 P09874 2/20 0.39
▸ TDP2 O95551 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35

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
SCHEMBL1027397 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL1027396 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL1720606 0.90 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL30803690 0.90 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL1720607 0.90 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL1029292 0.79 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL3972234 0.79 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL13716800 0.79 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL1029291 0.79 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB
SCHEMBL26498068 0.79 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19MAOAMAOB

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457296-B Pyrimidine compound and preparation method thereof 武汉人福创新药物研发中心有限公司 2023-11-07 — — CN disclosed
US-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2022-06-30 — — US disclosed
WO-2021043260-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR 湖北生物医药产业技术研究院有限公司 2021-03-11 — — WO disclosed
WO-2021043260-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR 湖北生物医药产业技术研究院有限公司 2021-03-11 — — WO disclosed
CN-112457296-A Pyrimidine compound and preparation method thereof 湖北生物医药产业技术研究院有限公司 2021-03-09 — — CN disclosed
EP-3154970-B1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME (US) 2019-11-06 — — EP disclosed
EP-3154970-B1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME (US) 2019-11-06 — — EP disclosed
US-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MERCK SHARP & DOHME CORP. (US) 2018-07-17 — — US disclosed
US-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MERCK SHARP & DOHME CORP. (US) 2018-07-17 — — US disclosed
US-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MERCK SHARP & DOHME CORP. (US) 2018-07-17 — — US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 — — EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 — — 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 CYP1A2 3771/4885ALDH1A1 3715/4885CYP2C19 4659/4885
US-20220204479-A1 PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR TYMP, DPYD, TYMS CYP1A2 375/4885ALDH1A1 870/4885CYP2C19 455/4885
US-10022461-B2 Pyrrolo[2,3-C]pyridines as imaging agents for neurofibrilary tangles MAPT, SNCA, PARK7 CYP1A2 2989/4885ALDH1A1 3124/4885CYP2C19 4333/4885
US-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 CYP1A2 2945/4885ALDH1A1 2871/4885CYP2C19 4532/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 CYP1A2 2945/4885ALDH1A1 2871/4885CYP2C19 4532/4885

“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.