SCHEMBL4826311

SCHEMBL4826311

c1nc(NC2CCCC2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 1/20 0.39
PAK1 Q13153 1/20 0.38
HCAR3 P49019 1/20 0.38
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
ULK1 O75385 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 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
SCHEMBL6190784 0.70 KDM4E (0.95) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL4826306 0.69 TSHR (0.51) MAPK1HDAC6MEN1KMT2A
SCHEMBL15954538 0.68 KDM4E (1.00) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL7768908 0.68 KDM4E (1.00) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL14384546 0.67 KDM4E (0.61) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL10583726 0.67 KDM4E (0.67) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL29774976 0.66 KDM4E (0.60) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL3296576 0.66 PDE4A (0.64) KDM4EGAAHDAC3HDAC1HDAC2
SCHEMBL12162873 0.66 KDM4E (0.87) KDM4EGAAMAPK1HDAC3HDAC1
SCHEMBL12237657 0.65 KDM4E (0.59) KDM4EGAAMAPK1HDAC3HDAC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885GAA 967/4885MAPK1 2349/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885GAA 967/4885MAPK1 2349/4885

“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.