SCHEMBL20075889

SCHEMBL20075889

Cc1nc2[nH]c(C3CCOCC3)cc(=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.39
DAO P14920 1/20 0.39
YTHDF2 Q9Y5A9 1/20 0.39
KDM5B Q9UGL1 1/20 0.37
PIK3CB P42338 2/20 0.36
TDP2 O95551 1/20 0.34
PDE1B Q01064 1/20 0.33
CSF1R P07333 1/20 0.33
PLAT P00750 2/20 0.32
PDE2A O00408 6/20 0.32
NPY5R Q15761 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3CA P42336 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
SCHEMBL20076035 0.90 YTHDF2 (0.47) DAOYTHDF2KDM5BPLATNPY5R
SCHEMBL20075893 0.88 YTHDF2 (0.42) DAOYTHDF2KDM5BPLATNPY5R
SCHEMBL20075888 0.88 YTHDF2 (0.42) DAOYTHDF2KDM5BPLATNPY5R
SCHEMBL20075886 0.86 NPY5R (0.42) DAOYTHDF2CSF1RPLATNPY5R
SCHEMBL20074192 0.76 DAO (0.41) PIK3C3DAOYTHDF2KDM5BPIK3CB
SCHEMBL25037191 0.73 YTHDF2 (0.44) DAOYTHDF2KDM5BPLAT
SCHEMBL20588719 0.72 KDM4E (0.44)
SCHEMBL31499730 0.71 YTHDF2 (0.39) DAOYTHDF2KDM5BPLATNPY5R
SCHEMBL20075890 0.70 NPY5R (0.38) DAOKDM5BNPY5R
SCHEMBL20076014 0.70 ALDH1A1 (0.47) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US claimed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200048259-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C PIK3C3 2093/4885DAO 3300/4885YTHDF2 656/4885

“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.