SCHEMBL2178168

SCHEMBL2178168

Cc1nc2ccccc2nc1C=Cc1nc(C(=O)NN2CCCCC2)cc(N2CCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.55
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2178158 1.00 PDE10A (0.55) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2180464 0.83 PDE10A (0.71) PDE10AKDM4E
SCHEMBL2180456 0.83 PDE10A (0.71) PDE10AKDM4E
SCHEMBL2178476 0.80 ALDH1A1 (0.45) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2178481 0.80 ALDH1A1 (0.45) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL7942725 0.78 PDE10A (0.61) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2182192 0.77 PDE10A (0.62) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2182187 0.77 PDE10A (0.62) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2026244 0.72 PDE10A (0.77) PDE10ALMNASMN1; SMN2KDM4EGAA
SCHEMBL2026249 0.72 PDE10A (0.77) PDE10ALMNASMN1; SMN2KDM4EGAA

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 8 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
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 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
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO claimed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885ALDH1A1 1520/4885POLB 2158/4885

“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.