SCHEMBL379788

SCHEMBL379788

O=C(NCc1cc(Cl)ccn1)c1cnccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
POLB P06746 3/20 0.54
NPC1 O15118 1/20 0.54
KLKB1 P03952 1/20 0.51
DGAT2 Q96PD7 1/20 0.46
CNR2 P34972 5/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
WDR5 P61964 1/20 0.42
SORT1 Q99523 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
MCHR1 Q99705 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL4916147 0.84 ALDH1A1 (0.51) ALDH1A1POLBNPC1DGAT2HPGD
SCHEMBL4907748 0.82 SORT1 (0.58) ALDH1A1POLBNPC1DGAT2HPGD
SCHEMBL15236978 0.81 POLB (0.65) ALDH1A1POLBNPC1CNR2HPGD
SCHEMBL4914157 0.79 ALDH1A1 (0.57) ALDH1A1POLBNPC1DGAT2CNR2
SCHEMBL4916272 0.79 ALDH1A1 (0.56) ALDH1A1POLBNPC1DGAT2CNR2
SCHEMBL4916162 0.79 NPC1 (0.50) ALDH1A1POLBNPC1DGAT2SORT1
SCHEMBL4914815 0.78 ALDH1A1 (0.53) ALDH1A1POLBNPC1DGAT2CNR2
SCHEMBL4914769 0.78 ALDH1A1 (0.55) ALDH1A1POLBNPC1DGAT2CNR2
SCHEMBL4916519 0.78 ALDH1A1 (0.53) ALDH1A1POLBNPC1DGAT2CNR2
SCHEMBL4916256 0.78 SCD (0.51) ALDH1A1POLBNPC1DGAT2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP disclosed
EP-2086973-B1 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC (US) 2012-01-25 EP disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
EP-2086973-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF Amgen Inc., (US) 2009-08-12 EP disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
WO-2008045393-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC. (US) 2008-04-17 WO disclosed
WO-2008045393-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC. (US) 2008-04-17 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 (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-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof MAPK1, MAP3K1, MAP3K7 ALDH1A1 2024/4885POLB 2333/4885NPC1 3864/4885

“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.