SCHEMBL5873234

SCHEMBL5873234

Cc1n[nH]c(C)c1B(c1c(C)n[nH]c1C)c1c(C)n[nH]c1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
CHEK1 O14757 1/20 0.37
AKT2 P31751 1/20 0.37
MAPK1 P28482 2/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
PTK2 Q05397 1/20 0.30

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
Bromide SCHEMBL713982 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
SCHEMBL819389 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Hydrochloric Acid SCHEMBL716918 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Hydrochloric Acid SCHEMBL8759428 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
SCHEMBL3959868 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Bromide SCHEMBL715020 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Hydrochloric Acid SCHEMBL7859645 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Hydrochloric Acid SCHEMBL716910 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
SCHEMBL715397 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D
Hydrochloric Acid SCHEMBL3957956 0.95 DYRK1A (0.46) DYRK1ACHEK1AKT2MAPK1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225121-A1 LABELING USING DEUTERIUM, TRITIUM WITH CATALYST UNITED STATES DEPARTMENT OF ENERGY 2004-11-11 US claimed
US-6794522-B2 LABELING ORGANIC COMPOUNDS WITH DEUTERIUM AND TRITIUM USING SPECIFIC CATALYSTS BASED ON GROUP 8 METALS CONTAINING PENTAMETHYLCYCLOPENTADIENE LIGAND; DEUTERATED TETRAHYDROFURAN OR DIETHYL ETHER FOR EXAMPLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-09-21 US claimed
EP-1292556-B1 CATALYTIC DEHYDROXYLATION OF DIOLS AND POLYOLS DU PONT (US) 2004-01-07 EP claimed
US-6555717-B2 Catalytic dehydroxylation of diols and polyols E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-29 US claimed
EP-1292556-A2 CATALYTIC DEHYDROXYLATION OF DIOLS AND POLYOLS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2003-03-19 EP claimed
US-20020173666-A1 Process for preparing a deuterated or tritiated compound REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-11-21 US claimed
US-20020077511-A1 Catalytic dehydroxylation of diols and polyols DEPARTMENT OF ENERGY, UNITED STATES 2002-06-20 US claimed
WO-2001098241-A2 CATALYTIC DEHYDROXYLATION OF DIOLS AND POLYOLS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-12-27 WO claimed
EP-0816386-B1 Olefin polymerization catalyst having a multidentate ligand ASAHI CHEMICAL IND (JP) 1998-12-16 EP claimed
US-5817724-A Olefin polymerization method using a highly active catalyst having a multidentate ligand ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-10-06 US claimed
EP-0816386-A2 Olefin polymerization catalyst having a multidentate ligand Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-01-07 EP claimed
EP-0617052-A2 Olefin polymerization catalyst having a multidentate ligand Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-09-28 EP claimed
US-12209104-B1 Metal complexes and methods of making the same TRIAD NATIONAL SECURITY, LLC (US) 2025-01-28 US disclosed
US-11731989-B1 Metal complexes and methods of making the same TRIAD NATIONAL SECURITY, LLC (US) 2023-08-22 US disclosed
CN-114057779-B Mixed Ce (III) complex and application thereof as electroluminescent material 北京大学 2023-06-06 CN disclosed
CN-114057779-A Mixed Ce (III) complex and application thereof as electroluminescent material 北京大学 2022-02-18 CN disclosed
EP-0617052-A2 Olefin polymerization catalyst having a multidentate ligand Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-09-28 EP disclosed
US-5312794-A Transition metal hydro trispyrazolylborate complex as catalyst SHELL OIL COMPANY (US) 1994-05-17 US disclosed
US-5237069-A HYDRIDOTRIS(PYRAZOLYL)BORATE METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1993-08-17 US disclosed
EP-0482934-A1 Use of heterocycle borate metal complexes as coordination polymerization catalysts THE DOW CHEMICAL COMPANY (US) 1992-04-29 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 (4 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-11731989-B1 Metal complexes and methods of making the same PAICS, PPA1, SMARCC1 DYRK1A 1835/4885CHEK1 1015/4885AKT2 2580/4885
US-12209104-B1 Metal complexes and methods of making the same PAICS, PPA1, SMARCC1 DYRK1A 1835/4885CHEK1 1015/4885AKT2 2580/4885
US-20040225121-A1 LABELING USING DEUTERIUM, TRITIUM WITH CATALYST HDHD5, DUT, SAMHD1 DYRK1A 931/4885CHEK1 1731/4885AKT2 4316/4885
US-20020173666-A1 Process for preparing a deuterated or tritiated compound HDHD5, SAMHD1, DHPS DYRK1A 2100/4885CHEK1 1295/4885AKT2 4454/4885

“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.