SCHEMBL396969

SCHEMBL396969

CC(C)(C)OC(=O)NC(COCc1ccccc1)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARA Q07869 2/20 0.42
CTSS P25774 1/20 0.41
PPARG P37231 1/20 0.40
KLK7 P49862 3/20 0.39
KLK5 Q9Y337 3/20 0.39
JAK2 O60674 1/20 0.37
SYK P43405 1/20 0.37
RCE1 Q9Y256 1/20 0.36
EEF2K O00418 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
PTPN1 P18031 4/20 0.35

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
SCHEMBL396970 1.00 ATM (0.45) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148282 0.84 GAA (0.52) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL13105838 0.82 ATM (0.45) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL399994 0.82 KDM4E (0.48) ATMKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL399260 0.81 KDM4E (0.48) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148294 0.81 KDM4E (0.40) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148288 0.79 ATM (0.50) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148276 0.77 KDM4E (0.53) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148123 0.75 KDM4E (0.53) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL3757891 0.75 KDM4E (0.54) ATMKDM4EALDH1A1GAAHPGD

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-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 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 (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-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 ATM 3210/4885KDM4E 2021/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 ATM 3210/4885KDM4E 2021/4885ALDH1A1 416/4885

“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.