SCHEMBL2698210

SCHEMBL2698210

NNc1ncc(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 4/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
PIK3CA P42336 1/20 0.33
IDO1 P14902 2/20 0.33
PLAU P00749 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
S100A9 P06702 1/20 0.32
POLB P06746 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL21847399 0.79 APP (0.39) DHODHS1PR1S1PR3MEN1HTT
SCHEMBL31317020 0.78 HTT (0.46) MEN1HTTKMT2AHSD17B10CYP2C9
SCHEMBL1198968 0.78 HTT (0.46) MEN1HTTKMT2AHSD17B10CYP2C9
SCHEMBL968702 0.78 ALDH1A1 (0.35) MEN1KMT2APIK3CASYK
SCHEMBL29572771 0.78 ALDH1A1 (0.35) MEN1KMT2APIK3CASYK
SCHEMBL2698119 0.78 BACE1 (0.41) DHODHHTTHSD17B10IDO1
Hydrochloric Acid SCHEMBL28482242 0.78 APP (0.38) DHODHS1PR1S1PR3MEN1HTT
Water SCHEMBL28877782 0.77 HTT (0.45) MEN1HTTKMT2AHSD17B10PLAU
Water SCHEMBL29974467 0.77 HTT (0.45) MEN1HTTKMT2AHSD17B10PLAU
SCHEMBL1164963 0.75 HTT (0.37) MEN1HTTKMT2AHSD17B10IDO1

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-114540846-B Synthesis method of 1,2, 4-triazolo six-membered nitrogen heterocycle-3-amine 五邑大学 2023-09-19 CN disclosed
CN-114540846-A Synthetic method of 1,2, 4-triazolo hexa-nitrogen heterocyclic-3-amine 五邑大学 2022-05-27 CN disclosed
US-11339160-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-05-24 US disclosed
US-11339160-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-05-24 US disclosed
EP-3914348-A1 IMIDAZO[1,5-A]PYRIDINE, 1,2,4-TRIAZOLO[4,3-A]PYRIDINE AND IMIDAZO[1,5-A]PYRAZINE AS JAK INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2021-12-01 EP disclosed
CN-113498352-A Imidazo [1,5-A ] pyridines, 1,2, 4-triazolo [4,3-A ] pyridines and imidazo [1,5-A ] pyrazines as JAK inhibitors 施万生物制药研发IP有限责任公司 2021-10-12 CN disclosed
US-20210040085-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-11 US disclosed
US-20210040085-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-02-11 US disclosed
US-10851102-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-12-01 US disclosed
US-10851102-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-12-01 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
WO-2009091374-A2 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-07-23 WO disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-7220863-B2 Process for preparing 2-aminopyridine derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-22 US disclosed
US-20060047124-A1 Process for preparing 2-aminopyridine derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-02 US disclosed
US-20020156285-A1 Novel herbicides KUNZ WALTER (CH) 2002-10-24 US disclosed
US-6369002-B1 HETERO IS PYRIMIDINE OR PYRIDAZINE; 1-(3-FLUORO-5-CHLORO PYRIDIN-2-YL)-3-METHYL-4-TRIFLUOROMETHYLPYRIMIDIN-2,6-DIONE SYNGENTA CROP PROPERTIES, INC. 2002-04-09 US disclosed
WO-2002015902-A1 METHOD OF TREATING OR PREVENTING URINARY INCONTINENCE USING PROSTANOID EP1 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-02-28 WO disclosed
EP-1076656-A2 N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 2001-02-21 EP disclosed
WO-1999055693-A2 N-HETEROARYL-SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1999-11-04 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 (7 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET DHODH 304/4885S1PR1 2252/4885S1PR3 2222/4885
US-20060047124-A1 Process for preparing 2-aminopyridine derivatives KCND2, KCNJ2, KCNJ5 DHODH 613/4885S1PR1 3737/4885S1PR3 3341/4885
US-20020156285-A1 Novel herbicides DDT, CBR1, CBR3 DHODH 768/4885S1PR1 3541/4885S1PR3 3620/4885
US-10851102-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors JAK3, JAK1, JAK2 DHODH 2847/4885S1PR1 2248/4885S1PR3 883/4885
US-11339160-B2 Imidazole and triazole containing bicyclic compounds as JAK inhibitors JAK3, JAK1, JAK2 DHODH 2847/4885S1PR1 2248/4885S1PR3 883/4885
US-20210040085-A1 IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 DHODH 2847/4885S1PR1 2248/4885S1PR3 883/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET DHODH 304/4885S1PR1 2252/4885S1PR3 2222/4885

“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.