SCHEMBL761678

SCHEMBL761678

c1cnc(NCC2CCNCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.54
PAK4 O96013 1/20 0.49
PAK1 Q13153 1/20 0.49
GRIN2B Q13224 6/20 0.47
TRIM58 Q8NG06 1/20 0.45
AXL P30530 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ALDH1A1 P00352 1/20 0.43
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
ROCK2 O75116 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL30259650 0.89 KDM1A (0.46) HRH4PAK4PAK1GRIN2BALDH1A1
Water SCHEMBL4692640 0.84 GRIN2B (0.51) HRH4GRIN2BALDH1A1ADRA1DADRA1A
SCHEMBL4761773 0.82 GRIN2B (0.50) HRH4GRIN2BALDH1A1ROCK2ADRA1D
SCHEMBL5359238 0.81 IGF1R (0.44) HRH4PAK4PAK1TRIM58AXL
SCHEMBL5355325 0.81 IGF1R (0.44) HRH4PAK4PAK1TRIM58AXL
SCHEMBL4720018 0.80 HRH4 (0.51) HRH4PAK4PAK1GRIN2BAXL
Ammonia Solution, Strong SCHEMBL5363886 0.80 IGF1R (0.43) HRH4PAK4PAK1TRIM58AXL
SCHEMBL5778550 0.79 HRH4 (0.59) HRH4PAK4PAK1TRIM58AXL
SCHEMBL12504033 0.78 FLT3 (0.43) HRH4PAK4PAK1GRIN2BTRIM58
SCHEMBL13439162 0.78 PAK4 (0.48) HRH4PAK4PAK1GRIN2BAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024197289-A1 NEGATIVE ALLOSTERIC MODULATORS OF GLUN2B RECEPTORS AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-09-26 WO disclosed
WO-2023061368-A1 HYDROXIMIC ACID DERIVATIVE AND USE THEREOF 成都自豪药业有限公司 2023-04-20 WO disclosed
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 US disclosed
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US disclosed
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists MERCK SHARP & DOHME CORP. 2004-10-21 US disclosed
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines ALLEN CHRISTOPHER (US) 2004-10-14 US disclosed
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (8 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 HRH4 2521/4885PAK4 2645/4885PAK1 1745/4885
US-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 HRH4 1323/4885PAK4 97/4885PAK1 95/4885
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 HRH4 3724/4885PAK4 1164/4885PAK1 1393/4885
US-20040209889-A1 N-substituted nonaryl-heterocyclic nmda/nr2b antagonists GRIN1, GRIN2B, GRIN2A HRH4 392/4885PAK4 3277/4885PAK1 2425/4885
US-20040204341-A1 Nr2b receptor antagonists for the treatment or prevention of migraines HTR1B, HTR2B, HTR1A HRH4 242/4885PAK4 4812/4885PAK1 3455/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK HRH4 1314/4885PAK4 109/4885PAK1 82/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A HRH4 418/4885PAK4 3461/4885PAK1 2656/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 HRH4 2521/4885PAK4 2645/4885PAK1 1745/4885

“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.