SCHEMBL2176846

SCHEMBL2176846

CN(C)c1nc(/C=C/c2nc(OC3CCCCC3)cc(N3CCCC3)n2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.56
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ATM Q13315 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NCF1 P14598 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
SCHEMBL2176853 1.00 PDE10A (0.56) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2179686 0.84 PDE10A (0.52) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2179683 0.84 PDE10A (0.52) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2180801 0.81 PDE10A (0.46) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2180807 0.81 PDE10A (0.46) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2178924 0.80 KDM4E (0.47) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2176837 0.80 KDM4E (0.47) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2178921 0.80 KDM4E (0.47) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2176832 0.80 KDM4E (0.47) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2177268 0.79 PDE10A (0.55) PDE10AKDM4EGAAACHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP claimed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US claimed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885KDM4E 397/4885GAA 1833/4885

“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.