SCHEMBL2086971

SCHEMBL2086971

O=C(c1ccccc1)c1cn2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RCE1 Q9Y256 1/20 0.47
METTL3 Q86U44 1/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LRRK2 Q5S007 1/20 0.43
MAPT P10636 1/20 0.43
MCHR1 Q99705 6/20 0.42
CNR2 P34972 1/20 0.41
LTC4S Q16873 1/20 0.41

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 SCHEMBL2087444 0.99 METTL3 (0.46) NPC1HPGDKDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL2086999 0.99 METTL3 (0.46) NPC1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2088782 0.85 MAP3K5 (0.43) ALDH1A1PTGS1PTGS2MCHR1
SCHEMBL20705103 0.84 PTGS1 (0.53) NPC1HPGDKDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL2086659 0.84 MAP3K5 (0.42) ALDH1A1PTGS1PTGS2MCHR1
SCHEMBL2086460 0.81 PTGS1 (0.50) METTL3PTGS1PTGS2CNR2
SCHEMBL13791874 0.80 KDM4E (0.51) NPC1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL30828885 0.80 KDM4E (0.51) NPC1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2087968 0.80 PTGS1 (0.51) NPC1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2085892 0.80 RAB9A (0.50) NPC1HPGDKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902219-B2 2-benzoylimidazopyridine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-08 US claimed
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 US claimed
US-7902219-B2 2-benzoylimidazopyridine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-03-08 US disclosed
EP-2040703-B1 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-21 EP disclosed
US-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-04 US disclosed
EP-2040703-A2 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003854-A2 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 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 (1 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-20090143420-A1 2-BENZOYLIMIDAZOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF NR4A2, NR4A3, NCOR1 NPC1 791/4885HPGD 2403/4885KDM4E 2764/4885

“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.