SCHEMBL968024

SCHEMBL968024

CCCCC(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
HPGD P15428 3/20 0.39
HSP90AA1 P07900 4/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX12 P18054 1/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 3/20 0.35
PAX8 Q06710 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GSK3A P49840 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
SCHEMBL965525 0.96 GSK3A (0.39) APLNRHPGDKDM4ESMN1; SMN2ALOX12
SCHEMBL12919917 0.92 HSP90AA1 (0.38) HPGDHSP90AA1POLBALDH1A1KDM4E
SCHEMBL967067 0.91 ALOX12 (0.41) APLNRHPGDPOLBALDH1A1KDM4E
SCHEMBL967602 0.88 TP53 (0.39) APLNRHPGDSMN1; SMN2RAB9ATP53
SCHEMBL969907 0.87 NPSR1 (0.39) APLNRHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL965443 0.86 APLNR (0.37) APLNRHPGDKDM4ESMN1; SMN2ALOX12
SCHEMBL3559789 0.85 TP53 (0.39) APLNRHPGDSMN1; SMN2RAB9ATP53
SCHEMBL970508 0.85 L3MBTL1 (0.42) APLNRHPGDPOLBKDM4ESMN1; SMN2
SCHEMBL966772 0.84 MAPT (0.39) APLNRHPGDSMN1; SMN2RAB9ATP53
SCHEMBL966556 0.83 GSK3B (0.40) HPGDALDH1A1SMN1; SMN2RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
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
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US 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 APLNR 2549/4885HPGD 1538/4885HSP90AA1 2369/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885HPGD 1538/4885HSP90AA1 2369/4885

“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.