SCHEMBL20076035

SCHEMBL20076035

Cc1nc2[nH]c(C3CC3)cc(=O)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDF2 Q9Y5A9 2/20 0.47
YTHDF3 Q7Z739 1/20 0.38
YTHDF1 Q9BYJ9 1/20 0.38
PLAT P00750 4/20 0.36
RAD51 Q06609 1/20 0.36
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
CASP7 P55210 1/20 0.33
HAVCR2 Q8TDQ0 3/20 0.33
XDH P47989 1/20 0.32
DAO P14920 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM4A O75164 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
SCHEMBL20075888 0.94 YTHDF2 (0.42) YTHDF2PLATNPY5RGAADAO
SCHEMBL20075893 0.94 YTHDF2 (0.42) YTHDF2YTHDF3YTHDF1PLATRAD51
SCHEMBL20075886 0.93 NPY5R (0.42) YTHDF2PLATNPY5RGAADAO
SCHEMBL20075889 0.90 PIK3C3 (0.39) YTHDF2PLATNPY5RDAOKDM5B
SCHEMBL25037191 0.82 YTHDF2 (0.44) YTHDF2YTHDF3YTHDF1PLATRAD51
SCHEMBL20588719 0.77 KDM4E (0.44) ALDH1A1HSD17B10KDM4EHPGDCASP1
SCHEMBL31499730 0.77 YTHDF2 (0.39) YTHDF2YTHDF3YTHDF1PLATNPY5R
SCHEMBL20075890 0.75 NPY5R (0.38) NPY5RALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20076014 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL20075840 0.74 KDM4E (0.41) RAD51ALDH1A1HSD17B10KDM4EHPGD

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 YTHDF2 656/4885YTHDF3 636/4885YTHDF1 556/4885

“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.