SCHEMBL4874935

SCHEMBL4874935

Cc1ccc(-n2cc(-c3ncc(C)s3)nc2-c2ccc(-n3c(C(C)C)nc4cccnc43)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
PDE10A Q9Y233 9/20 0.35
AKT1 P31749 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
ITGB1 P05556 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ITGA4 P13612 1/20 0.33
AKT2 P31751 2/20 0.32
AKT3 Q9Y243 1/20 0.31
PTGS2 P35354 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
SCHEMBL4869914 0.88 PDE4B (0.35) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4878990 0.88 PDE10A (0.48) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4859018 0.87 PDE4B (0.39) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4810368 0.85 PDE4B (0.36) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4861787 0.84 AKT1 (0.36) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4869201 0.80 PDE4B (0.35) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4865738 0.80 PTGS2 (0.35) PTGS2
SCHEMBL4878537 0.77 AKT1 (0.36) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4869273 0.75 PDE10A (0.47) PDE4BPDE10AAKT1MEN1KMT2A
SCHEMBL4871590 0.75 MEN1 (0.47) PDE4BPDE10AAKT1MEN1KMT2A

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 1 patent. 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

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 PDE4B 12/4885PDE10A 8/4885AKT1 1523/4885

“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.