SCHEMBL1414397

SCHEMBL1414397

COc1cccc(C(=O)Nc2c(C#N)c(NCc3ccccc3)c3cc(N4CCN(C(C)=O)CC4)ccc3[n+]2N)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 3/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1414488 0.78 MAPT (0.50) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL1414396 0.75 MAPT (0.39) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL1414573 0.71 NOD2 (0.33) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL1414395 0.67 GFER (0.53) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL941784 0.65 MAPT (0.43) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL939996 0.65 KIT (0.51) MAPTNPC1
SCHEMBL18737412 0.64 MAPT (0.79) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL6479650 0.64 MEN1 (0.54) ALDH1A1LMNASMN1; SMN2KMT2ANPC1
SCHEMBL5964942 0.64 MAPT (0.56) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL940590 0.64 MAPT (0.44) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A

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 3856/4885ALDH1A1 1126/4885LMNA 1595/4885

“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.