SCHEMBL3557026

SCHEMBL3557026

COc1c(C(=O)N(N)C(=O)Cc2ccccc2)nc(Br)c2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EGLN1 Q9GZT9 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.33
RPS6KB1 P23443 1/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TACR3 P29371 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX5 P09917 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
SCHEMBL966824 0.79 PLAU (0.48) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL966265 0.78 CDK9 (0.42) MEN1KMT2AEGLN1MAPTKEAP1
SCHEMBL969790 0.74 KDM4E (0.47) MEN1KMT2AMAPTKDM4EHIF1A
SCHEMBL1657008 0.72 LMNA (0.49) MEN1KMT2AEGLN1LMNATP53
SCHEMBL754438 0.72 ALDH1A1 (0.43) MEN1KMT2ALMNATACR3KDM4E
SCHEMBL27949660 0.70 KDM4E (0.46) PTGER4EGLN1LMNATP53MAPT
SCHEMBL4067451 0.67 LMNA (0.47) MEN1KMT2ALMNATP53MAPT
SCHEMBL27949658 0.66 KDM4E (0.45) MEN1KMT2AEGLN1LMNATP53
SCHEMBL4059013 0.66 KDM4E (0.47) KMT2AEGLN1LMNATP53MAPT
SCHEMBL966397 0.66 KDM4E (0.51) MEN1KMT2AEGLN1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR PTGER4 4601/4885MEN1 4802/4885KMT2A 1772/4885

“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.