SCHEMBL396235

SCHEMBL396235

CC(=O)Nc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 5/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 7/20 0.34
CRY1 Q16526 2/20 0.34
CRY2 Q49AN0 2/20 0.34
PER2 O15055 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TSPO P30536 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL399576 0.91 KDM4E (0.38) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL397680 0.86 KDM4E (0.48) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL399976 0.86 KDM4E (0.48) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL399696 0.84 HPGD (0.42) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL3763230 0.83 HPGD (0.42) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL10148318 0.80 HPGD (0.40) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL399931 0.80 KDM4E (0.55) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL14456914 0.78 KDM4E (0.43) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL399709 0.74 KDM4E (0.43) HPGDKDM4EALDH1A1L3MBTL1GAA
SCHEMBL399029 0.73 KDM4E (0.43) HPGDKDM4EALDH1A1L3MBTL1GAA

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-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 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 (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-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 HPGD 1661/4885KDM4E 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.