SCHEMBL1736679

SCHEMBL1736679

O=[N+]([O-])c1cccnc1/C=C/c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NFE2L2 Q16236 1/20 0.46
PDE10A Q9Y233 1/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.45
FBP1 P09467 1/20 0.44
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP19A1 P11511 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
SCHEMBL1736681 1.00 TAAR1 (0.57) TAAR1RAB9AMEN1KMT2ANFE2L2
SCHEMBL9000299 0.85 PDE10A (0.54) RAB9AMEN1KMT2APDE10AMAPT
(Z)-1,2-Diphenylethene SCHEMBL27365779 0.80 NFE2L2 (0.60) TAAR1RAB9AMEN1KMT2ANFE2L2
SCHEMBL1092487 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL8561899 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL13351976 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL1092129 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL8561898 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL1092131 0.80 PDE10A (0.49) RAB9AMEN1KMT2APDE10AMAPT
SCHEMBL305885 0.78 PDE10A (0.53) RAB9AMEN1KMT2APDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TAAR1 4468/4885RAB9A 435/4885MEN1 2624/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TAAR1 4468/4885RAB9A 435/4885MEN1 2624/4885

“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.