SCHEMBL3279253

SCHEMBL3279253

Nc1cccc(-c2c(-c3ccccc3)nnc3c(Cl)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.51
NR1H3 Q13133 6/20 0.48
MAOA P21397 1/20 0.42
AURKA O14965 1/20 0.41
MECP2 P51608 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2B P29275 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PDE5A O76074 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE1A P54750 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
SCHEMBL3278540 0.87 NR1H2 (0.52) NR1H2NR1H3ADORA2AADORA1ADORA2B
SCHEMBL3279123 0.83 MAOA (0.42) NR1H2NR1H3MAOAAURKAMECP2
SCHEMBL3278690 0.83 NR1H2 (0.53) NR1H2NR1H3ADORA1MAPTDHODH
SCHEMBL3279360 0.81 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL1125016 0.80 NR1H2 (0.58) NR1H2NR1H3MAOAADORA2AADORA1
SCHEMBL3279134 0.77 NR1H2 (0.44) NR1H2NR1H3DHODH
SCHEMBL5506808 0.77 NR1H2 (0.45) NR1H2NR1H3ADORA2AADORA1ADORA2B
SCHEMBL3285054 0.76 CNR1 (0.55) NR1H2NR1H3MAPTMEN1LMNA
SCHEMBL3278573 0.73 DHODH (0.46) NR1H2NR1H3ADORA2AADORA1KDM4E
SCHEMBL3279218 0.73 DHODH (0.43) NR1H2NR1H3ADORA2AADORA1KDM4E

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-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US claimed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 NR1H2 2/4885NR1H3 1/4885MAOA 4487/4885

“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.