SCHEMBL406798

SCHEMBL406798

CC(C)(C)OC(=O)N1CCc2[nH]c3ncc(Nc4ccc(Oc5ccccc5)cc4)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MKNK1 Q9BUB5 4/20 0.41
KIT P10721 1/20 0.40
PDE10A Q9Y233 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BTK Q06187 1/20 0.39
TNK2 Q07912 1/20 0.38
CFTR P13569 1/20 0.37
BUB1 O43683 1/20 0.37
F12 P00748 1/20 0.37
GCK P35557 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL409364 0.91 MAPT (0.55) MAPTMKNK1BAZ2BCFTRKDM4E
SCHEMBL407463 0.87 MKNK1 (0.55) MAPTMKNK1BAZ2BCFTR
SCHEMBL407207 0.84 MAPT (0.49) MAPTMKNK1KITCFTRKDM4E
SCHEMBL404753 0.78 BAZ2B (0.48) MAPTMKNK1BAZ2BCFTRF12
SCHEMBL18106971 0.77 MAPT (0.42) MAPTMKNK1BAZ2BCFTRALDH1A1
SCHEMBL31117354 0.74 BAZ2B (0.57) MAPTMKNK1BAZ2BMEN1ALOX15
SCHEMBL18106974 0.74 EP300 (0.43) MKNK1KITBAZ2BCFTR
SCHEMBL25421756 0.72 TRPV1 (0.48) MAPTKITBAZ2B
SCHEMBL21588363 0.72 CDK9 (0.44) MAPTMKNK1KITF12
SCHEMBL27053267 0.71 SMARCA2 (0.52) MAPTKITBAZ2BF12SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US claimed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US claimed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA MAPT 2520/4885MKNK1 54/4885KIT 1470/4885

“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.