SCHEMBL966079

SCHEMBL966079

O=C1C(Cc2ccc(F)cc2)=NN=C1c1ncc2cccnc2c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GLRA3 O75311 1/20 0.34
RPS6KB1 P23443 1/20 0.34
HTT P42858 1/20 0.34
COMT P21964 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLO1 Q04760 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
P4HB P07237 1/20 0.33

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
SCHEMBL965834 0.74 NPC1 (0.44) PARP1KDM4EMEN1NPC1RAB9A
SCHEMBL969824 0.73 KDM4E (0.39) MMP2PARP1KDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL967476 0.73 NPC1 (0.43) PARP1KDM4EMEN1NPC1RAB9A
SCHEMBL967039 0.73 RAB9A (0.46) MMP2KDM4EMEN1NPC1RAB9A
SCHEMBL968864 0.71 PSEN1 (0.39) MMP2PARP1KDM4EMEN1NPC1
SCHEMBL969810 0.71 MMP2 (0.39) MMP2PARP1KDM4EMEN1NPC1
SCHEMBL4068615 0.66 EGLN1 (0.55) KDM4EKMT2ARPS6KB1L3MBTL1
SCHEMBL966162 0.63 NPC1 (0.56) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL968019 0.62 EGLN1 (0.42) KDM4ERAB9AKMT2AHSP90AA1L3MBTL1
SCHEMBL968017 0.62 RAB9A (0.49) KDM4ENPC1RAB9AL3MBTL1

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 4 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-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 2484/4885PARP1 157/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR MMP2 2484/4885PARP1 157/4885KDM4E 2029/4885

“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.