SCHEMBL1414488

SCHEMBL1414488

COc1cccc(C(=O)Nc2nc3ccc(N4CCN(C(C)=O)CC4)cc3c(NCc3ccccc3)c2C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
GFER P55789 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43
ENPP2 Q13822 1/20 0.42
RAB9A P51151 2/20 0.42
QSOX1 O00391 1/20 0.42
PKM P14618 1/20 0.42
MAPK14 Q16539 1/20 0.41
DRD4 P21917 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
SCHEMBL939996 0.86 KIT (0.51) MAPTNPC1RAB9AFGFR1
SCHEMBL940590 0.85 MAPT (0.44) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL5964942 0.85 MAPT (0.56) MAPTLMNAALDH1A1KDM4ENPSR1
SCHEMBL939892 0.84 KIT (0.47) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL940762 0.84 FLT3 (0.48) MAPTLMNAALDH1A1KDM4ENPSR1
SCHEMBL6479650 0.84 MEN1 (0.54) LMNAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL941784 0.83 MAPT (0.43) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL5229898 0.81 MAPT (0.41) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL1414395 0.80 GFER (0.53) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1414397 0.78 MAPT (0.42) MAPTLMNAALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338411-B2 Compounds SANOFI (FR) 2012-12-25 US disclosed
EP-2167470-B1 TRIAZOLO [1, 5-A]QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-03-16 EP disclosed
US-20100216786-A1 NEW COMPOUNDS SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
EP-2167470-A1 TRIAZOLO [1, 5-A]QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2010-03-31 EP disclosed
WO-2008149168-A1 TRIAZOLO [1, 5-A] QUINOLINES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-12-11 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-20100216786-A1 NEW COMPOUNDS ADORA3, ADORA2A, ADORA1 MAPT 3856/4885LMNA 1595/4885ALDH1A1 1126/4885

“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.