SCHEMBL7937680

SCHEMBL7937680

Cc1cc2ccccc2nc1/C=C/c1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.55
KDM4E B2RXH2 7/20 0.45
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 5/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 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
SCHEMBL7942725 0.86 PDE10A (0.61) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7937689 0.81 PDE10A (0.49) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7940301 0.81 PDE10A (0.46) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL2023575 0.81 PDE10A (0.63) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL2023576 0.81 PDE10A (0.63) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7931201 0.81 PDE10A (0.48) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7936485 0.81 PDE10A (0.48) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7936493 0.80 PDE10A (0.49) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7937799 0.79 PDE10A (0.44) PDE10AKDM4EGAAL3MBTL1ACHE
SCHEMBL7934247 0.79 KDM4E (0.60) PDE10AKDM4EGAAL3MBTL1ACHE

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.