SCHEMBL403414

SCHEMBL403414

c1cncc(-c2ncc[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.64
MTOR P42345 1/20 0.64
ADK P55263 1/20 0.64
CYP2A6 P11509 5/20 0.54
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
NPY5R Q15761 2/20 0.51
KDM4E B2RXH2 2/20 0.50
LDHA P00338 1/20 0.50
EPHX2 P34913 1/20 0.50
NUDT1 P36639 1/20 0.49
BTK Q06187 1/20 0.49
CYP2E1 P05181 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGDS O60760 2/20 0.47
LMNA P02545 1/20 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
SCHEMBL30231261 1.00 NISCH (0.64) NISCHMTORADKCYP2A6CYP3A4
SCHEMBL24575932 0.84 MTOR (0.46) NISCHMTORADKCYP2A6CYP3A4
SCHEMBL24575959 0.80 MAPK1 (0.48) NISCHMTORADKCYP2A6CYP3A4
2-Phenylimidazole SCHEMBL27904708 0.80 NISCH (0.84) NISCHMTORADKCYP3A4ALDH1A1
2-Phenylimidazole SCHEMBL8901 0.79 NISCH (1.00) NISCHMTORADKCYP3A4ALDH1A1
2-Phenylimidazole SCHEMBL9719773 0.79 NISCH (1.00) NISCHMTORADKCYP3A4ALDH1A1
2-Phenylimidazole SCHEMBL27922661 0.78 NISCH (0.81) NISCHMTORADKCYP3A4ALDH1A1
2-Phenylimidazole SCHEMBL11072040 0.77 NISCH (0.95) NISCHMTORADKCYP3A4ALDH1A1
SCHEMBL16777437 0.77 NISCH (0.72) NISCHMTORADKCYP3A4ALDH1A1
2-Phenylimidazole SCHEMBL5796856 0.77 NISCH (0.95) NISCHMTORADKCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914600-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2024-08-07 EP claimed
CN-110511395-B Inorganic-organic hybrid material of polyacid-based silver complex, preparation method and application 吉林化工学院 2021-07-16 CN claimed
CN-110511395-A The Inorganic-Organic Hybrid Material and preparation method and application of polyacid base silver complex JILIN INST CHEMICAL TECH 2019-11-29 CN claimed
CN-101379065-A Imidazopyridine derivatives inhibiting protein kinase activity, method for the preparation thereof and pharmaceutical composition containing same CRYSTALGENOMICS INC (KR) 2009-03-04 CN claimed
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US disclosed
EP-4125861-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS The Regents of the University of California (US) 2023-02-08 EP disclosed
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE INTERVET INC. (US) 2023-01-05 US disclosed
US-4537969-A AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS HOFFMANN-LA ROCHE INC. (US) 1985-08-27 US disclosed
EP-0148283-A1 Novel penicillanic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-17 EP disclosed
US-4499097-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-02-12 US disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 US disclosed
US-4281005-A XANTHINE OXIDASE INHIBITORS AND AS ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1981-07-28 US disclosed
US-4179512-A XANTHINE OXIDASE INHIBITORS, HYPOTENSIVE MERCK & CO., INC. (US) 1979-12-18 US disclosed
US-4110456-A ANTIHYPERTENSIVE MERCK & CO., INC. (US) 1978-08-29 US disclosed
US-4058614-A HYPOTENSIVE, XANTHINE OXIDASE ENZYME INHIBITOR MERCK & CO., INC. (US) 1977-11-15 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 (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-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 NISCH 1007/4885MTOR 3864/4885ADK 3545/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 NISCH 605/4885MTOR 3220/4885ADK 4002/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD NISCH 419/4885MTOR 1088/4885ADK 3200/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 NISCH 3933/4885MTOR 2210/4885ADK 3710/4885
US-20230000813-A1 COMPOUND FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE PIGS, BTD, BRD1 NISCH 605/4885MTOR 1105/4885ADK 3210/4885

“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.