SCHEMBL439281

SCHEMBL439281

C=CCc1c(C)[nH]c2ccnc(N3CCc4ccccc4C3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.43
GRIN3B O60391 7/20 0.43
GRIN1 Q05586 7/20 0.43
GRIN2A Q12879 7/20 0.43
GRIN2B Q13224 7/20 0.43
GRIN2C Q14957 7/20 0.43
GRIN3A Q8TCU5 7/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
S1PR2 O95136 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL436826 0.99 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL437875 0.84 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL441269 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL436322 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL441270 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL440163 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL439291 0.81 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2315518 0.79 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL436711 0.79 KDM4E (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL437225 0.78 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed
US-8513277-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2013-08-20 US disclosed
US-8148529-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-04-03 US disclosed
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-03-15 US disclosed
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP disclosed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US disclosed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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 (2 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-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof ATP6AP1, PPOX, PGA5 GRIN2D 1076/4885GRIN3B 2347/4885GRIN1 3897/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD GRIN2D 2392/4885GRIN3B 2881/4885GRIN1 4093/4885

“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.