SCHEMBL967547

SCHEMBL967547

COc1c(-c2nnc(Cc3ccccc3)o2)nc(N2CCN(CC(=O)N(C)C)CC2)c2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.37
KDR P35968 3/20 0.36
MDM2 Q00987 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CDK1 P06493 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
BRAF P15056 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
JAK1 P23458 1/20 0.34
CDK2 P24941 1/20 0.34
AXL P30530 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL965866 0.90 KDM4E (0.39) AURKAKDM4ERAB9ANPC1LMNA
SCHEMBL968016 0.83 CALCA (0.39) KDM4ERAB9ANPC1LMNAALDH1A1
SCHEMBL966356 0.81 LMNA (0.41) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL967981 0.80 PRMT5 (0.37) RAB9ANPC1RIPK1SMN1; SMN2
SCHEMBL965725 0.79 RAB9A (0.37) RAB9ANPC1KDRRIPK1SMN1; SMN2
SCHEMBL966266 0.77 ALDH1A1 (0.45) KDM4EKDRMDM2ALDH1A1GAA
SCHEMBL967522 0.77 ACHE (0.42) KDM4ERAB9ALMNAELANEALDH1A1
SCHEMBL969722 0.76 RAB9A (0.45) KDM4ERAB9ANPC1LMNAALDH1A1
SCHEMBL967173 0.76 ATR (0.39) AURKAKDM4ERAB9ANPC1LMNA
SCHEMBL967148 0.76 ALDH1A1 (0.47) KDM4ERAB9ALMNAALDH1A1MAPT

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 AURKA 417/4885KDM4E 2029/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR AURKA 417/4885KDM4E 2029/4885RAB9A 2668/4885

“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.