SCHEMBL17005288

SCHEMBL17005288

COc1ccc(CN2CCCN3C(=O)c4c(O)c(=O)c(C(=O)O)cn4CC23)cn1.NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.37
PDE9A O76083 1/20 0.35
ERCC5 P28715 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PIK3CG P48736 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 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
SCHEMBL17005290 0.87 PDE9A (0.34) PDE9AEGLN1JAK2JAK1
SCHEMBL81730 0.87 SLC22A2 (0.40)
SCHEMBL22986885 0.86 TOP1 (0.40) TOP1
SCHEMBL19348226 0.86 KDM4E (0.37) TOP1JAK2JAK1
SCHEMBL10290021 0.85 TOP1 (0.37) TOP1
SCHEMBL19348227 0.83 LMNA (0.35) TOP1
SCHEMBL19307794 0.83 TOP1 (0.33) TOP1
SCHEMBL21356944 0.81 CYP2D6 (0.35) TOP1
SCHEMBL22986883 0.81 TOP1 (0.37) TOP1
SCHEMBL19307799 0.80 TOP1 (0.38) TOP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232479-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2015-08-20 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-20150232479-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 TOP1 670/4885PDE9A 4855/4885ERCC5 3273/4885

“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.