SCHEMBL20076014

SCHEMBL20076014

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 1/20 0.46
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HAVCR2 Q8TDQ0 3/20 0.34
TYMP P19971 1/20 0.34
XDH P47989 1/20 0.33
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20075840 0.86 KDM4E (0.41) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20076007 0.83 USP2 (0.35) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20588719 0.83 KDM4E (0.44) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20075885 0.77 HAVCR2 (0.32) ALDH1A1KDM4EHPGDHSD17B10HAVCR2
SCHEMBL20076035 0.75 YTHDF2 (0.47) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20075837 0.74 KDM4E (0.36) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20075834 0.74 HAVCR2 (0.34) ALDH1A1LMNAHPGDHSD17B10L3MBTL1
SCHEMBL12290303 0.73 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL20075893 0.73 YTHDF2 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL20075888 0.73 YTHDF2 (0.42) GAAPOLBDAO

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 ALDH1A1 1410/4885LMNA 1985/4885KDM4E 11/4885

“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.