SCHEMBL2178021

SCHEMBL2178021

COC(=O)c1cc(N2CCCC2)nc(C=Cc2nc(N(C)C)c3ccccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.38
NAPEPLD Q6IQ20 2/20 0.38

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
SCHEMBL2178013 1.00 PDE10A (0.46) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2176961 0.90 ALDH1A1 (0.47) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2176953 0.90 ALDH1A1 (0.47) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2178481 0.87 ALDH1A1 (0.45) PDE10AKDM4EALDH1A1POLBHPGD
SCHEMBL2178476 0.87 ALDH1A1 (0.45) PDE10AKDM4EALDH1A1POLBHPGD
SCHEMBL2181159 0.85 PDE10A (0.47) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL2181157 0.85 PDE10A (0.47) PDE10AALDH1A1POLBHPGDALOX12
SCHEMBL12410060 0.83 ALDH1A1 (0.54) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2178921 0.83 KDM4E (0.47) PDE10AKDM4EALDH1A1USP2POLB
SCHEMBL2178924 0.83 KDM4E (0.47) PDE10AKDM4EALDH1A1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 397/4885ALDH1A1 1520/4885

“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.