SCHEMBL8009508

SCHEMBL8009508

COc1ccc(-c2nc3ccccc3nc2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.74
ALDH1A1 P00352 6/20 0.74
L3MBTL1 Q9Y468 4/20 0.74
LMNA P02545 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
ADORA2A P29274 2/20 0.58
MAPT P10636 3/20 0.55
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CYP1A2 P05177 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
NQO2 P16083 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 2/20 0.49

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
SCHEMBL30696080 0.89 KDM4E (0.92) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL6339578 0.89 KDM4E (0.92) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL15056743 0.85 KDM4E (1.00) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL28815572 0.81 ADORA2A (0.61) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL12964182 0.81 KMT2A (0.51) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL19169623 0.81 TDP1 (0.68) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL18136587 0.81 TDP1 (0.74) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL29610236 0.81 TDP1 (0.74) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL31135158 0.81 TDP1 (0.67) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL923856 0.81 TDP1 (0.67) KDM4EALDH1A1L3MBTL1LMNATDP1

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-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 KDM4E 683/4885ALDH1A1 746/4885L3MBTL1 3667/4885

“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.