SCHEMBL4874403

SCHEMBL4874403

CN1CCN(c2ccc(-c3c(-c4ccc(-n5ccc6cccnc65)cc4)nc(-c4cncs4)n3O)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
MAPT P10636 1/20 0.37
AURKA O14965 1/20 0.35
CDK4 P11802 1/20 0.35
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RIPK3 Q9Y572 1/20 0.33
TNKS O95271 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TDO2 P48775 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL4874381 0.82 MAPT (0.38) WNT1GSK3BDYRK1AMAPTAURKA
SCHEMBL4810569 0.72 DCTPP1 (0.37) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL14194764 0.68 DCTPP1 (0.38) MAPTAURKACDK4KDM4ERAB9A
SCHEMBL4878072 0.68 HDAC1 (0.40) MAPTAURKACDK4HDAC3HDAC2
SCHEMBL4874478 0.67 HDAC3 (0.38) DYRK1AMAPTAURKACDK4HDAC3
SCHEMBL14194766 0.67 HDAC3 (0.38) DYRK1AMAPTAURKACDK4HDAC3
SCHEMBL4874439 0.67 HDAC3 (0.38) DYRK1AMAPTAURKACDK4HDAC3
SCHEMBL29977226 0.63 AURKA (0.43) AURKACDK4KDM4ERAB9AL3MBTL1
SCHEMBL4872929 0.63 DCTPP1 (0.35) MAPTKDM4ERAB9AL3MBTL1ALDH1A1
SCHEMBL2295195 0.62 CDC7 (0.53) KDM4ERAB9AL3MBTL1

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-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

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 WNT1 3553/4885GSK3B 149/4885DYRK1A 606/4885

“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.