SCHEMBL4859018

SCHEMBL4859018

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-n3c(C(C)C)nc4cccnc43)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
AKT1 P31749 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
PDE10A Q9Y233 8/20 0.36
AKT2 P31751 2/20 0.35
CYP2C9 P11712 2/20 0.35
ITGB1 P05556 1/20 0.35
CYP3A4 P08684 1/20 0.35
ITGA4 P13612 1/20 0.35
AKT3 Q9Y243 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPP1CA P62136 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4810368 0.88 PDE4B (0.36) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4869273 0.88 PDE10A (0.47) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4874935 0.87 PDE4B (0.35) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4861787 0.87 AKT1 (0.36) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4869914 0.87 PDE4B (0.35) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4812599 0.84 PTGS2 (0.39) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4879382 0.84 PDE10A (0.49) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4876971 0.83 PDE10A (0.39) PDE4BAKT1KMT2AMEN1POLB
SCHEMBL4806864 0.82 PDE10A (0.43) PDE4BKMT2APDE10ACYP2C9CYP1A2
SCHEMBL4879797 0.81 PDE10A (0.38) PDE4BAKT1KMT2AMEN1POLB

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 6 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 PDE4B 12/4885AKT1 1523/4885KMT2A 1148/4885

“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.