Sugi Predict

Sugi Predict / Compounds / SCHEMBL806266

SCHEMBL806266

SCHEMBL806266

COc1ccc2nc(C)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.65
▸ NQO1 P15559 1/20 0.61
▸ CYP1A2 P05177 3/20 0.59
▸ POLB P06746 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CYP2A6 P11509 1/20 0.52
▸ NQO2 P16083 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ EGFR P00533 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48

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
SCHEMBL30081476 1.00 NCF1 (0.65) NCF1NQO1CYP1A2POLBKDM4E
Iodide SCHEMBL28889538 0.98 NCF1 (0.62) NCF1NQO1CYP1A2POLBKDM4E
Iodomethane SCHEMBL28083726 0.96 NCF1 (0.61) NCF1NQO1CYP1A2POLBKDM4E
SCHEMBL9193884 0.91 NCF1 (0.56) NCF1NQO1CYP1A2POLBKDM4E
SCHEMBL30081480 0.86 CYP1A2 (0.57) NCF1CYP1A2POLBKDM4ELMNA
SCHEMBL424930 0.86 CYP1A2 (0.57) NCF1CYP1A2POLBKDM4ELMNA
SCHEMBL15831602 0.82 NCF1 (0.50) NCF1NQO1CYP1A2POLBKDM4E
SCHEMBL15831604 0.81 NCF1 (0.53) NCF1NQO1CYP1A2POLBKDM4E
SCHEMBL19066027 0.80 CYP1A2 (0.50) NCF1NQO1CYP1A2POLBKDM4E
SCHEMBL14805705 0.79 CYP1A2 (0.53) NCF1NQO1CYP1A2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 — — US claimed
CN-113754583-A 2- ([2, 2' -biquinolyl ] -3-ether) -1-ethanol and derivative and synthetic method thereof 湖南工程学院 2021-12-07 — — CN claimed
CN-110606839-B Green synthesis method of polysubstituted quinazoline derivative 南方医科大学 2021-10-08 — — CN claimed
CN-112834467-A Method for detecting components of mixed gas in wastewater pool 江苏安泰安全技术有限公司 2021-05-25 — — CN claimed
CN-110054587-B pH fluorescent compound with AIE characteristics and preparation and application thereof 浙江工业大学 2020-11-03 — — CN claimed
CN-111217798-A Coumarin-quinoline derivative and synthesis method and application thereof 山西大学 2020-06-02 — — CN claimed
EP-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 — — EP claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 — — EP claimed
CN-104447539-B A kind of two grades, the synthetic method of three-level aromatic amides 湖南大学 2017-09-15 — — CN claimed
CN-106565600-A Deuterated aza aromatic compound and synthesis method thereof 湖南大学 2017-04-19 — — CN claimed
CN-104447539-A Method for synthesizing binary and ternary aryl amide compounds UNIV HUNAN 2015-03-25 — — CN claimed
CN-104447540-A Synthetic method of primary aryl amide compounds UNIV HUNAN 2015-03-25 — — CN claimed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 — — US claimed
CN-101591291-A The synthetic method of 2-ethenyl quinoline compound INST MATERIA MEDICA CAMS (CN) 2009-12-02 — — CN claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 — — EP claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 — — US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS — 1998-12-30 — — WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 NCF1 4147/4885NQO1 1309/4885CYP1A2 592/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 NCF1 4089/4885NQO1 1082/4885CYP1A2 616/4885

“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.