SCHEMBL7931201

SCHEMBL7931201

COc1nc2ccccc2nc1/C=C/c1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.48
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 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
SCHEMBL7931205 0.88 PDE10A (0.46) PDE10AKDM4EGAAHRH4ACHE
SCHEMBL7942725 0.85 PDE10A (0.61) PDE10AKDM4EGAAKMT2AACHE
SCHEMBL7936485 0.82 PDE10A (0.48) PDE10AKDM4EGAAACHEL3MBTL1
SCHEMBL2023576 0.82 PDE10A (0.63) PDE10AKDM4EGAAMEN1KMT2A
SCHEMBL7940301 0.82 PDE10A (0.46) PDE10AKDM4EGAAKMT2AACHE
SCHEMBL2023575 0.82 PDE10A (0.63) PDE10AKDM4EGAAMEN1KMT2A
SCHEMBL7937680 0.81 PDE10A (0.55) PDE10AKDM4EGAAKMT2AACHE
SCHEMBL7937799 0.80 PDE10A (0.44) PDE10AKDM4EGAAHRH4ACHE
SCHEMBL12574926 0.79 PDE10A (0.52) PDE10AKDM4EGAAMEN1KMT2A
SCHEMBL7937147 0.79 PDE10A (0.50) PDE10AKDM4EGAAMEN1KMT2A

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
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A PDE10A 1/4885KDM4E 322/4885GAA 1065/4885

“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.