SCHEMBL17005290

SCHEMBL17005290

COc1ccc(CN2CCCN3C(=O)c4c(O)c(=O)c(C(=O)ONCc5ccc(F)cc5)cn4CC23)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KIT P10721 1/20 0.33
SLC22A2 O15244 3/20 0.32
CYP3A4 P08684 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL81730 0.90 SLC22A2 (0.40) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17005288 0.87 TOP1 (0.37) PDE9AEGLN1JAK2JAK1
SCHEMBL83148 0.80 SLC22A2 (0.42) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL10290021 0.78 TOP1 (0.37) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL80768 0.78 SLC22A2 (0.41) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82276 0.76 SLC22A2 (0.43) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82244 0.76 ALDH1A1 (0.41) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19138024 0.76 SLC22A2 (0.40) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL83291 0.75 MEN1 (0.44) SLC22A2CYP3A4TMEM97ABCG2MEN1
SCHEMBL2679793 0.75 SLC22A2 (0.42) SLC22A2CYP3A4TMEM97ABCG2

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 PDE9A 4855/4885EGLN1 2129/4885KIT 4103/4885

“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.