SCHEMBL399576

SCHEMBL399576

CNc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSPO P30536 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
SCHEMBL396235 0.91 HPGD (0.37) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL397680 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL399976 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL399709 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL3759456 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL10148329 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL401059 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL14456901 0.77 KDM4E (0.45) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL399029 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL399696 0.74 HPGD (0.42) KDM4EALDH1A1HPGDGAATSHR

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 KDM4E 2021/4885ALDH1A1 416/4885HPGD 1661/4885

“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.