SCHEMBL1781247

SCHEMBL1781247

COc1cc(C2=CCN(C(=O)OCc3ccccc3)CC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.48
NAMPT P43490 1/20 0.47
PDE4B Q07343 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GRM5 P41594 3/20 0.44
GRM1 Q13255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
QDPR P09417 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
TP53 P04637 1/20 0.40
PRMT1 Q99873 1/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 1/20 0.40
CDK7 P50613 1/20 0.40
CDK13 Q14004 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17197366 0.93 NAMPT (0.51) LNPEPNAMPTHRH3GRM5GRM1
SCHEMBL3317600 0.87 NAMPT (0.54) NAMPTGRM5GRM1QDPREGFR
SCHEMBL12479072 0.86 QDPR (0.52) NAMPTGRM5GRM1QDPREGFR
SCHEMBL4881872 0.84 HDAC2 (0.49) LNPEPNAMPTGRM5GRM1ALDH1A1
SCHEMBL12479633 0.83 NAMPT (0.52) LNPEPNAMPTHRH3GRM5GRM1
SCHEMBL14648947 0.82 NAMPT (0.51) LNPEPNAMPTHRH3GRM5GRM1
SCHEMBL12801757 0.81 LNPEP (0.48) LNPEPNAMPTGRM5GRM1MEN1
SCHEMBL21590409 0.80 LNPEP (0.46) LNPEPNAMPTGRM5GRM1PRMT1
SCHEMBL25201639 0.79 NAMPT (0.50) LNPEPNAMPTGRM5GRM1ALDH1A1
SCHEMBL5455714 0.79 NAMPT (0.53) LNPEPNAMPTHRH3GRM5GRM1

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 LNPEP 2832/4885NAMPT 1861/4885PDE4B 4299/4885

“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.