Sugi Predict

Sugi Predict / Compounds / SCHEMBL1735993

SCHEMBL1735993

SCHEMBL1735993

O=[N+]([O-])c1cccnc1N1CCc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ LMNA P02545 2/20 0.67
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ GRIN2D O15399 2/20 0.60
▸ GRIN3B O60391 2/20 0.60
▸ GRIN1 Q05586 2/20 0.60
▸ GRIN2A Q12879 2/20 0.60
▸ GRIN2B Q13224 2/20 0.60
▸ GRIN2C Q14957 2/20 0.60
▸ GRIN3A Q8TCU5 2/20 0.60
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GRM5 P41594 4/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL6951312 0.93 LMNA (0.76) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL781659 0.81 CYP1A2 (0.87) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL135679 0.80 LMNA (1.00) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL3828908 0.80 NPC1 (0.69) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL1736068 0.80 MAPT (0.52) NPC1RAB9ALMNAGRIN2DGRIN3B
SCHEMBL1737002 0.79 TDP1 (0.52) NPC1RAB9ALMNAGRIN2DGRIN3B
SCHEMBL1738198 0.79 MEN1 (0.51) NPC1RAB9ALMNAGRIN2DGRIN3B
SCHEMBL135728 0.79 LMNA (0.76) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL27784865 0.79 MAPT (0.66) RAB9ALMNAMAPTALDH1A1MAPK1
SCHEMBL27692998 0.78 SMN1; SMN2 (0.58) NPC1RAB9ALMNACYP1A2CYP2C9

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 20 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-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 — — WO disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 — — WO disclosed
EP-1448547-B1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-04-20 — — EP disclosed
US-6831087-B2 2-(Pyrid-2- or 4-yl)-1,2,3,4-tetrahydroisoquinoline and derivatives; a good affinity to the NMDA receptor (N-methyl-D-asparate); acute/cronic neurodegenerative diseases; bacterial/viral infections; antidepressants; analgesics HOFFMANN-LA ROCHE INC. 2004-12-14 — — US disclosed
EP-1448547-A1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-25 — — EP disclosed
EP-1412398-A2 HIGH MELT STRENGTH POLYMERS AND METHOD OF MAKING SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-28 — — EP disclosed
EP-1377613-A2 METHOD OF MAKING INTERPOLYMERS AND PRODUCTS MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-07 — — EP disclosed
US-20030119870-A1 Pyridine substituted isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — US disclosed
WO-2003040128-A1 PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-15 — — WO disclosed
WO-2002100906-A1 USE OF POLAR MONOMERS IN OLEFIN POLYMERIZATION AND POLYMERS THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2002-12-19 — — WO disclosed
WO-2002074817-A2 METHOD OF MAKING INTERPOLYMERS AND PRODUCTS MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2002-09-26 — — WO disclosed
WO-2002074816-A2 HIGH MELT STRENGTH POLYMERS AND METHOD OF MAKING SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2002-09-26 — — 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885LMNA 3951/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H NPC1 2915/4885RAB9A 435/4885LMNA 3951/4885
US-20030119870-A1 Pyridine substituted isoquinoline derivatives GRIN1, GRIN2C, GRIN2A NPC1 928/4885RAB9A 3031/4885LMNA 4734/4885

“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.