SCHEMBL4856735

SCHEMBL4856735

Cc1ccc(-n2cc(-c3cncs3)nc2-c2ccc(-c3ccnc(N)c3N)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
ATR Q13535 1/20 0.30

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
SCHEMBL4902397 0.90 AKT1 (0.30) CHEK1CHEK2
SCHEMBL4876491 0.87 KDM4E (0.36) CHEK1CHEK2PTGS2PTGS1ATR
SCHEMBL4854572 0.85 PTGS1 (0.33) CHEK2PTGS2PTGS1
SCHEMBL4851752 0.84 CYP2E1 (0.36) PTGS2PTGS1
SCHEMBL4845511 0.84 TLR7 (0.38) CHEK2PTGS2PTGS1
SCHEMBL4812977 0.83 PTGS1 (0.34) CHEK2PTGS2PTGS1
SCHEMBL4853177 0.82 PTGS1 (0.38) PTGS2PTGS1
SCHEMBL4867771 0.79 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL14194774 0.77 PDE10A (0.39) PTGS2
SCHEMBL4869091 0.72 PDE10A (0.45)

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 2 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
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 CHEK1 3715/4885CHEK2 3268/4885PTGS2 854/4885

“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.