SCHEMBL2182187

SCHEMBL2182187

Cc1nc2ccccc2nc1/C=C/c1nc(C(=O)N(C2CCOCC2)C2CC2)cc(N2CCCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.62
HSD11B1 P28845 3/20 0.43
KDM4E B2RXH2 1/20 0.36
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL2182192 1.00 PDE10A (0.62) PDE10AHSD11B1KDM4EPIK3CBALDH1A1
SCHEMBL2180464 0.84 PDE10A (0.71) PDE10AHSD11B1KDM4E
SCHEMBL2180456 0.84 PDE10A (0.71) PDE10AHSD11B1KDM4E
SCHEMBL2178168 0.77 PDE10A (0.55) PDE10AKDM4EALDH1A1POLBHPGD
SCHEMBL2178158 0.77 PDE10A (0.55) PDE10AKDM4EALDH1A1POLBHPGD
SCHEMBL2178291 0.75 PDE10A (0.73) PDE10AKDM4EALDH1A1HPGD
SCHEMBL2178286 0.75 PDE10A (0.73) PDE10AKDM4EALDH1A1HPGD
SCHEMBL2021842 0.74 PDE10A (0.63) PDE10AKDM4EALDH1A1HPGD
SCHEMBL2021839 0.74 PDE10A (0.63) PDE10AKDM4EALDH1A1HPGD
SCHEMBL2024120 0.73 PDE10A (0.70) PDE10AKDM4EALDH1A1HPGD

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 4 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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 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

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 1/4885HSD11B1 813/4885KDM4E 397/4885

“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.