SCHEMBL436775

SCHEMBL436775

Cc1[nH]c2ccnc(OCc3ccc(Cl)cc3)c2c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NCOA1 Q15788 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC2A1 P11166 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36

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 SCHEMBL439183 0.99 HTR6 (0.41) HTR6CCNB2CDK1CCNB1GSK3A
SCHEMBL437304 0.89 PTGS1 (0.39) HTR6HTTALDH1A1PTGS1PTGS2
Hydrochloric Acid SCHEMBL436260 0.88 PTGS1 (0.38) HTTALDH1A1PTGS1PTGS2SLC2A1
SCHEMBL438267 0.80 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL439409 0.79 LRRK2 (0.55) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL440242 0.78 LRRK2 (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL885589 0.76 NPSR1 (0.40) HTR6CCNB2CDK1CCNB1GSK3A
Hydrochloric Acid SCHEMBL436656 0.76 NPSR1 (0.39) HTR6HTTNPC1KDM4EALDH1A1
SCHEMBL9372127 0.70 LMNA (0.44) HTTKDM4EALDH1A1TRPM8GABRA1
SCHEMBL3778607 0.69 L3MBTL1 (0.47) HTTNPC1ALDH1A1TDP1L3MBTL1

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 12 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
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO 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
CN-101018788-B Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-08-25 CN disclosed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US disclosed
CN-101018788-A Pyrrolo[3,2-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-15 CN 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 HTR6 1174/4885CCNB2 3383/4885CDK1 2479/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD HTR6 1186/4885CCNB2 3764/4885CDK1 2090/4885

“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.