SCHEMBL458287

SCHEMBL458287

NC1CNCC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.58
MAOB P27338 10/20 0.58
MAOA P21397 8/20 0.58
CYP2C19 P33261 4/20 0.58
CYP2B6 P20813 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
LMNA P02545 2/20 0.58
TAAR1 Q96RJ0 2/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
CYP2A6 P11509 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL458288 1.00 KDM1A (0.58) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL458289 1.00 KDM1A (0.58) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL3870080 0.84 MAOA (0.55) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL3870077 0.84 MAOA (0.55) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL8660684 0.84 MAOA (0.55) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL15054151 0.82 MAOB (0.52) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL5160136 0.82 SLC18A3 (0.53) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL15729989 0.79 SLC6A3 (0.44) KDM1AMAOBSLC6A2HTR2CSLC6A3
SCHEMBL14813595 0.79 HTR2C (0.43) KDM1AMAOBMAOACYP2C19CYP1A2
SCHEMBL16649637 0.79 SLC6A3 (0.44) KDM1AMAOBSLC6A2HTR2CSLC6A3

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
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO claimed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP disclosed
EP-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
CN-1017800-B TRICYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 1992-08-12 CN disclosed
US-4864023-A MICROBIOCIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
US-4840956-A TREATING GRAM-POSITIVE BACTERIA WARNER-LAMBERT COMPANY (US) 1989-06-20 US disclosed
US-4801584-A ANTIMICROBIAL HOFFMANN-LA ROCHE INC. (US) 1989-01-31 US disclosed
CN-87106838-A Tricyclic compound 1988-05-11 CN disclosed
US-4735949-A BROAD SPECTRA; GRAMPOSITIVE BACTERIA; BURN INJURIES WARNER-LAMBERT COMPANY (US) 1988-04-05 US disclosed
EP-0259804-A2 Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process F. HOFFMANN-LA ROCHE AG (CH) 1988-03-16 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 (1 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-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 KDM1A 1636/4885MAOB 1352/4885MAOA 1809/4885

“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.