SCHEMBL2011684

SCHEMBL2011684

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
IDO1 P14902 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31

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
SCHEMBL12543647 1.00 NPC1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL12544105 0.86 RAB9A (0.38) RAB9AKDM4ESMN1; SMN2GAALMNA
SCHEMBL2008367 0.86 RAB9A (0.38) RAB9AKDM4ESMN1; SMN2GAALMNA
SCHEMBL15458671 0.86 GAA (0.39) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL15489236 0.85 KDM4E (0.39) KDM4ESMN1; SMN2GAALMNAHTT
SCHEMBL9953799 0.82 SMN1; SMN2 (0.55) RAB9AKDM4ESMN1; SMN2GAALMNA
SCHEMBL12465686 0.82 SMN1; SMN2 (0.55) RAB9AKDM4ESMN1; SMN2GAALMNA
SCHEMBL12465688 0.82 SMN1; SMN2 (0.55) RAB9AKDM4ESMN1; SMN2GAALMNA
SCHEMBL5219714 0.80 RAB9A (0.38) NPC1RAB9AKDM4ESMN1; SMN2GAA
SCHEMBL5219709 0.80 RAB9A (0.38) NPC1RAB9AKDM4ESMN1; SMN2GAA

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-2477990-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
EP-2477988-A1 ACETYLENE DERIVATIVES OF 5-PHENYL-PYRAZOLOPYRIDINE, PREPARATION THEREOF, 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 NPC1 1445/4885RAB9A 2004/4885KDM4E 4451/4885
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS NR4A3, NCOR1, NR4A2 NPC1 867/4885RAB9A 3336/4885KDM4E 4187/4885
US-20130023554-A1 5-PHENYLPYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CBR3, CBR1, OGFR NPC1 956/4885RAB9A 1236/4885KDM4E 4578/4885

“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.