SCHEMBL4854568

SCHEMBL4854568

O=C(/C(=N\O)c1cnccn1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.38
PARP1 P09874 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 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
SCHEMBL8228696 1.00 SLC22A12 (0.38) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4854578 1.00 SLC22A12 (0.38) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL14194771 0.87 SLC22A12 (0.39) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4874193 0.87 SLC22A12 (0.39) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4874200 0.87 SLC22A12 (0.39) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4858249 0.84 SLC22A12 (0.41) SLC22A12PARP1SLC22A6ABCG2SMN1; SMN2
SCHEMBL4858244 0.84 SLC22A12 (0.41) SLC22A12PARP1SLC22A6ABCG2SMN1; SMN2
SCHEMBL28541218 0.75 SLC22A12 (0.49) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4878241 0.75 IDO1 (0.44) SLC22A12PARP1SLC22A6ABCG2CDC7
SCHEMBL4874478 0.75 HDAC3 (0.38) PARP1SMN1; SMN2KDM4ENPC1MAPT

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 SLC22A12 2601/4885PARP1 2349/4885SLC22A6 2380/4885

“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.