SCHEMBL379833

SCHEMBL379833

N/N=C/c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.57
GRIN2B Q13224 3/20 0.57
GRIN2D O15399 2/20 0.57
GRIN3B O60391 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2C Q14957 2/20 0.57
GRIN3A Q8TCU5 2/20 0.57
ALDH1A1 P00352 5/20 0.50
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL379834 1.00 GRIN1 (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL30275282 0.82 L3MBTL1 (0.59) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL6847216 0.82 L3MBTL1 (0.59) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL11309449 0.80 GRIN2D (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL11309438 0.80 GRIN2D (0.67) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3697881 0.79 GAA (0.44) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL534274 0.76 GRIN2D (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL16256569 0.76 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL30862631 0.76 GRIN2D (0.57) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL20217222 0.76 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-10675257-B2 Method of treating cancer with a combination of benzylideneguanidine derivatives and chemotherapeutic agent INFLECTIS BIOSCIENCE (FR) 2020-06-09 US disclosed
EP-3164391-B1 O-ALKYL-BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF DISORDERS ASSOCIATED AN ACCUMULATION OF MISFOLDED PROTEINS INFLECTIS BIOSCIENCE (FR) 2019-07-31 EP disclosed
US-20180221310-A1 METHOD OF TREATING CANCER WITH A COMBINATION OF BENZYLIDENEGUANIDINE DERIVATIVES AND CHEMOTHERAPEUTIC AGENT INFLECTIS BIOSCIENCE (FR) 2018-08-09 US disclosed
WO-2017021216-A1 METHOD OF TREATING CANCER WITH A COMBINATION OF BENZYLIDENEGUANIDINE DERIVATIVES AND CHEMOTHERAPEUTIC AGENT. INFLECTIS BIOSCIENCE (FR) 2017-02-09 WO 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 (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-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof MAPK1, MAP3K1, MAP3K7 GRIN1 2348/4885GRIN2B 3086/4885GRIN2D 4011/4885
US-20180221310-A1 METHOD OF TREATING CANCER WITH A COMBINATION OF BENZYLIDENEGUANIDINE DERIVATIVES AND CHEMOTHERAPEUTIC AGENT MGMT, GLI1, CA9 GRIN1 1378/4885GRIN2B 973/4885GRIN2D 1186/4885
US-10675257-B2 Method of treating cancer with a combination of benzylideneguanidine derivatives and chemotherapeutic agent MGMT, GLI1, CA9 GRIN1 1378/4885GRIN2B 973/4885GRIN2D 1186/4885

“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.