SCHEMBL20074192

SCHEMBL20074192

O=c1cc(C2CCOCC2)[nH]c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
KDM5B Q9UGL1 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
YTHDF2 Q9Y5A9 2/20 0.38
CSF1R P07333 2/20 0.36
PIK3CB P42338 1/20 0.35
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE1B Q01064 1/20 0.32
YTHDF3 Q7Z739 1/20 0.32
YTHDF1 Q9BYJ9 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
PLAT P00750 1/20 0.31
CASP3 P42574 1/20 0.31
CDK9 P50750 1/20 0.31
CASP7 P55210 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
SCHEMBL20075889 0.76 PIK3C3 (0.39) DAOKDM5BPIK3C3YTHDF2CSF1R
SCHEMBL12952998 0.69 PIK3C3 (0.38) DAOKDM5BPIK3C3YTHDF2PIK3CB
SCHEMBL15083750 0.67 TSHR (0.43) CSF1RTSHRPOLBTP53TDP1
SCHEMBL31677037 0.65 CNR2 (0.47) KDM5B
SCHEMBL2457070 0.65 CCR2 (0.44) PIK3CBPDE1BPLAT
SCHEMBL20074180 0.64 TSHR (0.45) DAOKDM5BCSF1RTSHRPOLB
SCHEMBL25037191 0.64 YTHDF2 (0.44) DAOKDM5BYTHDF2POLBYTHDF3
SCHEMBL20075888 0.62 YTHDF2 (0.42) DAOKDM5BYTHDF2POLBPLAT
SCHEMBL20075893 0.62 YTHDF2 (0.42) DAOKDM5BYTHDF2YTHDF3YTHDF1
SCHEMBL31499730 0.62 YTHDF2 (0.39) DAOKDM5BYTHDF2YTHDF3YTHDF1

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071283-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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C DAO 3196/4885KDM5B 2/4885PIK3C3 2173/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C DAO 3196/4885KDM5B 2/4885PIK3C3 2173/4885

“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.