SCHEMBL4451027

SCHEMBL4451027

c1ccc(-n2nccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
HPGD P15428 3/20 0.52
POLB P06746 2/20 0.44
P2RX7 Q99572 2/20 0.43
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
STAT1 P42224 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL14961833 0.80 ACLY (0.39) KDM4EHPGDPOLBCYP3A4ALDH1A1
SCHEMBL8525606 0.79 CYP11B1 (0.45) KDM4EHPGDCYP19A1ALDH1A1MEN1
SCHEMBL30212246 0.79 LTA4H (0.50) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL15041062 0.76 P2RX7 (0.41) KDM4EHPGDPOLBP2RX7ALDH1A1
SCHEMBL8166966 0.72 NOTUM (0.45) KDM4EHPGDALDH1A1TSHRMAPT
SCHEMBL3706685 0.72 MAPT (0.45) KDM4EHPGDPOLBCYP3A4ALDH1A1
SCHEMBL3276844 0.72 NTRK1 (0.31)
SCHEMBL2627223 0.71 MAPT (0.52) KDM4EPOLBCYP3A4ALDH1A1TSHR
SCHEMBL14812187 0.71 MGLL (0.47) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL22968426 0.71 KEAP1 (0.52) POLBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570658-B2 Synthetic methods of making (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-10 US claimed
CN-114555603-B Improved synthetic methods for preparing (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2025-03-14 CN claimed
US-20240368505-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF Tan Kah Kee Innovation Laboratory (CN) 2024-11-07 US claimed
CN-118610578-A Application of azole-rich compound in lithium ion battery electrolyte, lithium ion battery electrolyte and preparation method of lithium ion battery electrolyte 仲恺农业工程学院 2024-09-06 CN claimed
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN claimed
WO-2023133876-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF 嘉庚创新实验室 2023-07-20 WO claimed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN claimed
US-20220289754-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1, 2, 3-TRIAZOL-2-YL) PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-09-15 US claimed
EP-4010325-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1,2,3-TRIAZOL-2-YL)PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-06-15 EP claimed
CN-114555603-A Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2022-05-27 CN claimed
CN-114317127-A Fluoride-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2022-04-12 CN claimed
CN-113637027-B Phenyl triazole dicarboxylic acid-rhodamine B derivative fluorescent probe and preparation method and application thereof 海南师范大学 2022-04-05 CN claimed
CN-106939248-A Automobile water-based base carbon distribution cleaning combination 佛山市云系科技有限公司 2017-07-11 CN claimed
CN-106238096-A A kind of preparation method that catalyst SBA-15@Schiff's base be can be recycled 新疆大学 2016-12-21 CN claimed
WO-2005023939-A1 LIGHTFAST CYANINE DYE COMPOSITIONS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2005-03-17 WO claimed
EP-1514906-A1 Lightfast cyanine dye compositions for optical data recording CLARIANT INTERNATIONAL LTD. (CH) 2005-03-16 EP claimed
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
JP-58039658-A None JP disclosed
US-3936456-A Substituted piperazine dione oxyls and hydroxides and polymer compositions stabilized thereby CIBY-GEIGY CORPORATION (US) 1976-02-03 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 (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-12570658-B2 Synthetic methods of making (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators HCRTR2, HCRTR1, HRH1 KDM4E 1028/4885HPGD 824/4885POLB 3865/4885
US-20220289754-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1, 2, 3-TRIAZOL-2-YL) PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, HTR3B KDM4E 528/4885HPGD 863/4885POLB 3996/4885

“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.