SCHEMBL966889

SCHEMBL966889

CN1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCA P06881 3/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
APLNR P35414 2/20 0.36
NPC1 O15118 1/20 0.35
METAP2 P50579 1/20 0.35
MAPT P10636 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
SCHEMBL967529 0.91 MAPT (0.44) CALCAPTGS1PTGS2L3MBTL1TP53
SCHEMBL970529 0.89 CALCA (0.39) CALCAPTGS1PTGS2L3MBTL1TP53
SCHEMBL967446 0.85 APLNR (0.38) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL966267 0.84 TP53 (0.42) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL968296 0.83 CALCA (0.41) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL968666 0.83 RPS6KB1 (0.41) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL965385 0.82 CALCA (0.39) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL969973 0.80 NPSR1 (0.42) CALCAL3MBTL1TP53HPGDRAB9A
SCHEMBL967580 0.80 ADORA2A (0.42) CALCAL3MBTL1TP53HPGDSMN1; SMN2
SCHEMBL969591 0.80 CALCA (0.42) CALCAL3MBTL1TP53HPGDRAB9A

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 9 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-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 CALCA 4461/4885PTGS1 3945/4885PTGS2 4237/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885PTGS1 3945/4885PTGS2 4237/4885

“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.