SCHEMBL2010817

SCHEMBL2010817

O=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 4/20 0.61
GSK3B P49841 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
PABPC1 P11940 1/20 0.42
MAP4K4 O95819 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 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
SCHEMBL9993146 0.89 RAB9A (0.67) RAB9ANPC1GSK3BL3MBTL1MAPT
SCHEMBL2010768 0.85 RAB9A (0.61) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2010007 0.85 ALDH1A1 (0.49) RAB9ANPC1GSK3BL3MBTL1MAPT
SCHEMBL15489237 0.84 RAB9A (0.49) RAB9ANPC1GSK3BMAPTKMT2A
SCHEMBL12465723 0.81 GSK3B (0.50) RAB9ANPC1GSK3BMAPTKMT2A
SCHEMBL2011684 0.79 NPC1 (0.38) RAB9ANPC1GSK3BL3MBTL1MAPT
SCHEMBL12543647 0.79 NPC1 (0.38) RAB9ANPC1GSK3BL3MBTL1MAPT
SCHEMBL5214600 0.79 RAB9A (0.61) RAB9ANPC1L3MBTL1MAPTKMT2A
SCHEMBL6202998 0.76 RAB9A (1.00) RAB9ANPC1GSK3BL3MBTL1MAPT
SCHEMBL5219339 0.75 NPC1 (0.50) RAB9ANPC1GSK3BMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477990-B1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-20 EP disclosed
US-8680096-B2 Diphenyl-pyrazolopyridine derivatives, preparation thereof, and use thereof as nuclear receptor not modulators SANOFI-AVENTIS (FR) 2014-03-25 US disclosed
US-8618301-B2 5-phenylpyrazolopyridine derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
US-8546424-B2 Acetylene derivatives of 5-phenyl-pyrazolopyridine, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
EP-2507238-B1 DIPHENYL-PYRAZOLOPYRIDINE COMPOUNDS, THEIR PREPARATION AND THEIR APPLICATION AS MODULATORS OF THE NUCLEAR RECEPTOR NOT SANOFI SA (FR) 2013-07-31 EP disclosed
EP-2477988-B1 Acetylenic derivatives of 5-phenyl-pyrazolopyridine, process for their preparation and therapeutic use thereof SANOFI SA (FR) 2013-07-17 EP disclosed
US-20130023554-A1 5-PHENYLPYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-01-24 US disclosed
US-20120270897-A1 ACETYLENE DERIVATIVES OF 5-PHENYL-PYRAZOLOPYRIDINE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-25 US disclosed
EP-2507238-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-10-10 EP disclosed
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-09-27 US disclosed
EP-2477988-A1 ACETYLENE DERIVATIVES OF 5-PHENYL-PYRAZOLOPYRIDINE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
EP-2477990-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
WO-2011067544-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI-AVENTIS (FR) 2011-06-09 WO disclosed
WO-2011033230-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 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-20120270897-A1 ACETYLENE DERIVATIVES OF 5-PHENYL-PYRAZOLOPYRIDINE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAT1, KCNH1, PC RAB9A 2004/4885NPC1 1445/4885GSK3B 4645/4885
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS NR4A3, NCOR1, NR4A2 RAB9A 3336/4885NPC1 867/4885GSK3B 4699/4885
US-20130023554-A1 5-PHENYLPYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CBR3, CBR1, OGFR RAB9A 1236/4885NPC1 956/4885GSK3B 3881/4885

“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.