SCHEMBL3148628

SCHEMBL3148628

NCCc1n[nH]c2ccc(N)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
AXL P30530 3/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
JAK2 O60674 6/20 0.41
PDPK1 O15530 3/20 0.41
AURKA O14965 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK1 Q13464 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4215847 0.87 GSK3B (0.49) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL5988413 0.83 HTR2C (0.51) HTR2AHTR2CHTR2BPDPK1KDM4E
SCHEMBL29377929 0.82 GSK3B (0.46) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL3589720 0.82 GSK3B (0.47) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL3352618 0.82 GSK3B (0.51) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL9122600 0.79 HTR2A (0.55) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL22890775 0.78 GSK3B (0.48) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL700944 0.78 KDM4E (0.53) HTR2AHTR2CPDPK1AURKAKDM4E
SCHEMBL27595578 0.78 FGFR1 (0.50) GSK3BHTR2AHTR2CHTR2BJAK2
SCHEMBL25226605 0.77 AXL (0.46) GSK3BAXLHTR2AHTR2CHTR2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
US-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-01-01 US disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
CN-101133034-A Substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-02-27 CN disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
EP-1869002-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-26 EP disclosed
WO-2006069809-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676841-A1 Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments Esteve Laboratorios Dr. Esteve S.A. (ES) 2006-07-05 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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE GSK3B 533/4885AXL 3603/4885HTR2A 16/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A GSK3B 2390/4885AXL 2449/4885HTR2A 23/4885
US-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments HTR6, TPH2, HTR5A GSK3B 2664/4885AXL 2223/4885HTR2A 5/4885

“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.