SCHEMBL969810

SCHEMBL969810

Cn1nc(Cc2ccc(F)cc2)nc1-c1ncc2cccnc2c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
TDP2 O95551 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
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
L3MBTL1 Q9Y468 1/20 0.35
P4HB P07237 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PARP1 P09874 1/20 0.33
PTGS2 P35354 1/20 0.33
FYN P06241 2/20 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
SCHEMBL968864 0.81 PSEN1 (0.39) MMP2KDM4EMEN1NPC1RAB9A
SCHEMBL969824 0.75 KDM4E (0.39) MMP2KDM4EMEN1NPC1RAB9A
SCHEMBL965834 0.73 NPC1 (0.44) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL967039 0.73 RAB9A (0.46) MMP2KDM4EMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL967476 0.73 NPC1 (0.43) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL966079 0.71 MMP2 (0.39) MMP2KDM4EMEN1NPC1RAB9A
SCHEMBL965982 0.64 EGLN1 (0.39) KDM4ENPC1L3MBTL1
SCHEMBL968019 0.64 EGLN1 (0.42) KDM4ERAB9AKMT2AL3MBTL1P4HB
SCHEMBL4068615 0.63 EGLN1 (0.55) KDM4EKMT2AL3MBTL1
SCHEMBL966900 0.63 KDM4E (0.34) MMP2KDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 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-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 MMP2 2484/4885TDP2 656/4885KDM4C 2225/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR MMP2 2484/4885TDP2 656/4885KDM4C 2225/4885

“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.