SCHEMBL1738690

SCHEMBL1738690

CS(=O)(=O)c1cccc(CCBr)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.45
GRM3 Q14832 2/20 0.45
HTR6 P50406 3/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 2/20 0.42
GLS O94925 1/20 0.41
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
DPP4 P27487 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL29411715 0.85 ALDH1A1 (0.46) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL533931 0.85 ALDH1A1 (0.46) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL5264775 0.83 HTR6 (0.54) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL10180595 0.83 KAT6A (0.48) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL27755219 0.81 HTR6 (0.45) HTR6ALDH1A1HSD17B10TDP1NPC1
SCHEMBL314472 0.81 TSHR (0.48) HTR6ALDH1A1HSD17B10TDP1NPC1
SCHEMBL5232319 0.81 DRD2 (0.46) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL3997064 0.81 GRM2 (0.48) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL2204086 0.81 HTR6 (0.67) GRM2GRM3HTR6ALDH1A1GAA
SCHEMBL27534239 0.81 GRM2 (0.45) GRM2GRM3HTR6ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104755459-A Fluoromethyl-substituted pyrrolecarboxamides GRUENENTHAL CHEMIE 2015-07-01 CN disclosed
CN-103958508-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2014-07-30 CN disclosed
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
CN-101952257-A Benzimidazole compounds WYETH CORP 2011-01-19 CN disclosed
CN-101945871-A Imidazo [1,2-a] pyridine compounds WYETH LLC 2011-01-12 CN disclosed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN 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
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
CN-101048412-A Piperidinylamino-thieno [2, 3-D ] pyrimidine compounds EPIX DELAWARE INC (US) 2007-10-03 CN 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 GRM2 3507/4885GRM3 3278/4885HTR6 1250/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H GRM2 3507/4885GRM3 3278/4885HTR6 1250/4885

“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.