SCHEMBL968864

SCHEMBL968864

Cn1nc(-c2ncc3cccnc3c2O)nc1Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MET P08581 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 1/20 0.34
P4HB P07237 1/20 0.34
PARP1 P09874 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32

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
SCHEMBL969810 0.81 MMP2 (0.39) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL965834 0.78 NPC1 (0.44) KDM4EMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL967476 0.77 NPC1 (0.43) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL969824 0.73 KDM4E (0.39) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL967039 0.73 RAB9A (0.46) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL966079 0.71 MMP2 (0.39) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL966162 0.67 NPC1 (0.56) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL8344868 0.65 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4068615 0.63 EGLN1 (0.55) KDM4EKMT2AL3MBTL1
SCHEMBL965895 0.62 SMN1; SMN2 (0.41) KDM4EMEN1NPC1RAB9AKMT2A

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-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-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 PSEN1 2279/4885PSEN2 2427/4885APH1B 306/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR PSEN1 2279/4885PSEN2 2427/4885APH1B 306/4885

“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.