SCHEMBL967562

SCHEMBL967562

CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCA P06881 3/20 0.40
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APLNR P35414 2/20 0.36
RIPK1 Q13546 5/20 0.36
NPC1 O15118 2/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 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
SCHEMBL968712 0.90 CALCA (0.38) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL965304 0.88 CALCA (0.41) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL968103 0.88 CALCA (0.38) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL971473 0.87 PARP1 (0.39) CALCARAB9ASMN1; SMN2L3MBTL1PARP1
SCHEMBL968379 0.86 CALCA (0.41) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL966973 0.86 CALCA (0.40) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL967176 0.86 CALCA (0.43) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL967035 0.86 CALCA (0.43) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL969933 0.86 CALCA (0.41) CALCARAB9ATP53HPGDSMN1; SMN2
SCHEMBL970505 0.86 CALCA (0.39) CALCARAB9ATP53HPGDSMN1; 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 8 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-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 4461/4885RAB9A 2668/4885TP53 1946/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885RAB9A 2668/4885TP53 1946/4885

“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.