Sugi Predict

Sugi Predict / Compounds / SCHEMBL243741

SCHEMBL243741

SCHEMBL243741

CN(C(=O)O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LIPE Q05469 1/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
Hydrochloric Acid SCHEMBL11804810 0.98 POLB (0.50) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL762423 0.84 ALDH1A1 (0.50) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL6316045 0.83 TSHR (0.58) POLBTSHRALDH1A1KMT2ALMNA
SCHEMBL7368446 0.82 CYP2D6 (0.46) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL761923 0.82 CYP2D6 (0.46) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL424554 0.82 CYP2D6 (0.46) POLBTSHRALDH1A1CHRM2ADRA2A
SCHEMBL6644466 0.82 CYP2D6 (0.46) POLBTSHRALDH1A1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL27945127 0.81 LIPE (0.45) POLBTSHRALDH1A1ADRA2AADRA2B
SCHEMBL11338231 0.80 CYP2D6 (0.47) POLBTSHRALDH1A1CHRM2ADRA2A
Acetic Acid SCHEMBL9792689 0.80 ALDH1A1 (0.48) POLBTSHRALDH1A1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205602-A1 HIGH-LOAD AGRICULTURAL FORMULATIONS AND METHODS OF MAKING SAME BASF CORPORATION (US) 2023-10-26 — — WO disclosed
CN-110582503-B Fused bicyclic heterocyclic compound derivatives as pest control agents 拜耳公司 2022-05-31 — — CN disclosed
CN-109689662-B Fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2022-03-15 — — CN disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 — — EP disclosed
CN-113994970-A Substituted sulfonamides for combating animal pests 拜耳公司 2022-02-01 — — CN disclosed
CN-113950246-A Stable formulations of dithiocarbamates 拜耳公司 2022-01-18 — — CN disclosed
CN-113710669-A Fused bicyclic heterocyclic derivatives as pesticides 拜耳公司 2021-11-26 — — CN disclosed
CN-110087466-B Active compound combinations 拜耳作物科学股份公司 2021-11-09 — — CN disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 — — CN disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 — — US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 — — EP disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 — — US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 — — US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 — — EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 — — WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 — — US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 — — US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 — — EP disclosed
US-4426523-A Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 — — 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 (3 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP POLB 866/4885TSHR 2037/4885ALDH1A1 1036/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 POLB 2750/4885TSHR 3292/4885ALDH1A1 340/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 POLB 3626/4885TSHR 1858/4885ALDH1A1 273/4885

“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.