SCHEMBL4852886

SCHEMBL4852886

COc1cc(-c2ccc(-c3nc(-c4ccccn4)cn3-c3cccnc3)cc2)c2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.40
TOP1 P11387 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP17A1 P05093 2/20 0.37
KDR P35968 1/20 0.37
CYP19A1 P11511 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CBFB Q13951 1/20 0.37
GRM1 Q13255 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL4878280 0.83 CYP2A6 (0.40) NPC1RAB9AGRM1HSP90AA1
SCHEMBL4856159 0.81 PIK3CD (0.38) TOP1NPC1RAB9AGRM1SQOR
SCHEMBL4808663 0.77 CYP2A6 (0.54) CYP19A1NPC1RAB9AHSP90AA1
SCHEMBL4809253 0.76 CYP2A6 (0.40) PDE4DNPC1RAB9AGRM1
SCHEMBL4810066 0.75 CYP2A6 (0.45) NPC1RAB9AGRM1HSP90AA1
SCHEMBL4806280 0.74 CYP2A6 (0.42) NPC1RAB9AGRM1
SCHEMBL31086216 0.74 TOP1 (0.59) SLC40A1TOP1PDE4APDE4BPDE4C
SCHEMBL4874609 0.73 CYP2A6 (0.50) CYP11B2CYP11B1CYP17A1KDRCYP19A1
SCHEMBL4859211 0.72 MAPT (0.42) NPC1RAB9AGRM1
SCHEMBL4875437 0.72 MAPT (0.47) CYP19A1

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 5 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
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 SLC40A1 4228/4885TOP1 270/4885PDE4A 11/4885

“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.