SCHEMBL4876503

SCHEMBL4876503

COc1nc2cccnc2n1-c1ccc(-c2nc(-c3nc(C)cs3)cn2-c2ccc(C)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.45
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
PDE4B Q07343 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
AKT1 P31749 4/20 0.34
AKT2 P31751 2/20 0.34
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA5 P31644 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
SCHEMBL4869229 0.90 PDE10A (0.45) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4871590 0.88 MEN1 (0.47) PDE10APDE4BCYP2E1CYP3A4CYP2A6
SCHEMBL4879382 0.87 PDE10A (0.49) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4856160 0.87 PDE10A (0.46) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4869091 0.86 PDE10A (0.45) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4805276 0.86 PDE10A (0.45) PDE10APDE4BCYP3A4CYP2C9AKT1
SCHEMBL4874903 0.78 PDE10A (0.37) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4876971 0.78 PDE10A (0.39) PDE10APDE4BAKT1AKT2MEN1
SCHEMBL4855612 0.77 MEN1 (0.39) PDE10APDE4BAKT1MEN1POLB
SCHEMBL4810228 0.77 MEN1 (0.47) PDE10APDE4BAKT1AKT2MEN1

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 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

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 PDE10A 8/4885GABRA1 1429/4885GABRG2 1866/4885

“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.