SCHEMBL968369

SCHEMBL968369

N#Cc1nc(Br)c2cccnc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
HSP90AA1 P07900 8/20 0.49
HTT P42858 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TP53 P04637 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
USP2 O75604 3/20 0.49
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 4/20 0.41
SLC6A2 P23975 4/20 0.41
MAPT P10636 4/20 0.41
MMP14 P50281 3/20 0.41
ALOX12 P18054 3/20 0.41
CYP3A4 P08684 2/20 0.41
OPRK1 P41145 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL967475 0.98 KDM4E (0.47) KDM4EHSP90AA1HTTMEN1KMT2A
SCHEMBL967472 0.77 KCNMA1 (0.43) KDM4EHSP90AA1HTTKMT2ATP53
SCHEMBL967897 0.73 KDM4E (0.40) KDM4EHTTMEN1KMT2ATP53
SCHEMBL967280 0.72 EGLN1 (0.43) KDM4EHSP90AA1HTTTP53SMN1; SMN2
SCHEMBL21645128 0.72 KDM4E (0.45) KDM4EHSP90AA1HTTMEN1KMT2A
SCHEMBL966563 0.72 COMT (0.38) KDM4EHSP90AA1HTTKMT2ATP53
SCHEMBL4071983 0.72 KDM4E (0.56) KDM4EHSP90AA1HTTMEN1KMT2A
SCHEMBL29118973 0.72 KDM4E (0.66) KDM4EHSP90AA1HTTMEN1KMT2A
SCHEMBL5790906 0.71 KDM4E (0.59) KDM4EHSP90AA1HTTMEN1KMT2A
SCHEMBL966416 0.71 CALCA (0.46) KDM4EHSP90AA1HTTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885HSP90AA1 2369/4885HTT 3224/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885HSP90AA1 2369/4885HTT 3224/4885

“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.