SCHEMBL4874381

SCHEMBL4874381

CN1CCN(c2ccc(-c3[nH]c(-c4cncs4)nc3-c3ccc(-n4ccc5cccnc54)cc3)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TNKS O95271 2/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
KCNH2 Q12809 1/20 0.37
WNT1 P04628 2/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
BRAF P15056 1/20 0.36
AURKA O14965 1/20 0.36
CDK4 P11802 1/20 0.36
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
TDO2 P48775 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
IDO1 P14902 1/20 0.34
MAP4K1 Q92918 1/20 0.34
CLK2 P49760 1/20 0.33

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
SCHEMBL4874403 0.82 WNT1 (0.38) MAPTTNKSDGAT1SOAT1KCNH2
SCHEMBL4810822 0.72 PDE10A (0.69) MAPTPDE10AKDM4EMEN1ALDH1A1
SCHEMBL4874771 0.72 MAPT (0.44) MAPTPDE10AKDM4EMEN1ALDH1A1
SCHEMBL4879803 0.68 PDE10A (0.36) MAPTTGFBR1IDO1PDE10A
SCHEMBL4878072 0.67 HDAC1 (0.40) MAPTAURKACDK4HDAC3HDAC2
SCHEMBL14194766 0.66 HDAC3 (0.38) MAPTDYRK1AAURKACDK4HDAC3
SCHEMBL4874478 0.66 HDAC3 (0.38) MAPTDYRK1AAURKACDK4HDAC3
SCHEMBL4874439 0.66 HDAC3 (0.38) MAPTDYRK1AAURKACDK4HDAC3
SCHEMBL4873084 0.66 CYP19A1 (0.43) MAPTBRAFIDO1KDM4ELMNA
SCHEMBL2295195 0.63 CDC7 (0.53) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 MAPT 964/4885TNKS 2209/4885DGAT1 2139/4885

“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.