SCHEMBL4773938

SCHEMBL4773938

c1cn(CCn2ccnc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.75
EGLN3 Q9H6Z9 1/20 0.60
ALDH1A1 P00352 1/20 0.52
CYP19A1 P11511 1/20 0.52
PRKCI P41743 1/20 0.52
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL28904137 0.89 TBXAS1 (0.62) TBXAS1EGLN3ALDH1A1CYP19A1PRKCI
SCHEMBL9777196 0.88 TBXAS1 (0.85) TBXAS1EGLN3CYP19A1PRKCI
SCHEMBL937596 0.88 TBXAS1 (0.95) TBXAS1PRKCI
SCHEMBL937530 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL1679410 0.86 TBXAS1 (1.00) TBXAS1
Ammonia Solution, Strong SCHEMBL7096678 0.86 TBXAS1 (0.81) TBXAS1EGLN3CYP19A1PRKCI
SCHEMBL2535103 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL10247600 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL2532389 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL2533366 0.86 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US claimed
CN-117843523-A Preparation method of trimethyl acethydrazide 安徽广信农化股份有限公司 2024-04-09 CN claimed
CN-113463074-B Copper deposition composition and copper deposition method 广东硕成科技股份有限公司 2022-06-14 CN claimed
CN-108187749-B Preparation method of multifunctional sponge catalyst for water electrolysis 潍坊学院 2020-06-23 CN claimed
CN-106881153-B The preparation of the organic silicon sphere catalyst of hydrophobic modification and catalyst and application 中国科学院大连化学物理研究所 2019-06-11 CN claimed
CN-106881153-A The preparation and catalyst and application of the organic silicon sphere catalyst of hydrophobic modification 中国科学院大连化学物理研究所 2017-06-23 CN claimed
CN-105498834-A Heterogeneous catalyst and application of heterogeneous catalyst in ammoniation reaction of polyhydroxy compound DALIAN INST CHEMICAL PHYSICS CAS 2016-04-20 CN claimed
CN-105435842-A Homogeneous catalyst and application thereof in polyhydroxy compound ammoniation reaction DALIAN INST CHEMICAL PHYSICS CAS 2016-03-30 CN claimed
CN-104056660-A Ionic liquid-modified mesoporous material and preparation method DALIAN CHEMICAL PHYSICS INST 2014-09-24 CN claimed
US-4532268-A Imidazole agent for retarding the polymerization of aziridine compounds ESPE, FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1985-07-30 US claimed
US-4218568-A HYDROLYSIS OF METHYL FORMATE IN THE PRESENCE OF AN IMIDAZOLE BASE BASF AKTIENGESELLSCHAFT (DE) 1980-08-19 US claimed
US-12404221-B2 Methods of arene alkenylation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-09-02 US disclosed
EP-3883522-B1 USE OF A POLYETHER-MODIFIED POLYDIMETHYL SILOXANE FOR REDUCING THE STICKINESS OF A DENTAL IMPRESSION COMPOSITION SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2025-01-08 EP disclosed
US-20240285476-A1 DENTAL COMPOSITION COMPRISING AN ISORBIDE COMPONENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2024-08-29 US disclosed
EP-4346741-A1 DENTAL COMPOSITION COMPRISING AN ISORBIDE COMPONENT Solventum Intellectual Properties Company (US) 2024-04-10 EP disclosed
US-7196264-B2 Dye sensitized solar cell and method for manufacturing dye sensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2007-03-27 US disclosed
US-7196264-B2 Dye sensitized solar cell and method for manufacturing dye sensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2007-03-27 US disclosed
EP-0110429-B1 RETARDERS FOR THE POLYMERISATION OF AZIRIDINE COMPOUNDS ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1990-01-17 EP disclosed
US-4532268-A Imidazole agent for retarding the polymerization of aziridine compounds ESPE, FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1985-07-30 US disclosed
EP-0110429-A2 Retarders for the polymerisation of aziridine compounds ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1984-06-13 EP 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-20240285476-A1 DENTAL COMPOSITION COMPRISING AN ISORBIDE COMPONENT INTS9, PUF60, TAS2R42 TBXAS1 3950/4885EGLN3 1076/4885ALDH1A1 2914/4885
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same MLX, LDHA, CA2 TBXAS1 4677/4885EGLN3 1260/4885ALDH1A1 1229/4885
US-12404221-B2 Methods of arene alkenylation CYBB, CBR3, AHR TBXAS1 1684/4885EGLN3 1325/4885ALDH1A1 414/4885

“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.