SCHEMBL965993

SCHEMBL965993

Oc1c(-c2nnc(Cc3cccc4ccccc34)[nH]2)ncc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
KDM4E B2RXH2 3/20 0.37
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
P2RX3 P56373 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
PAX8 Q06710 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
HTR6 P50406 2/20 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
SCHEMBL965982 0.84 EGLN1 (0.39) KDM4ETAAR1PAX8NPC1GAA
SCHEMBL966900 0.81 KDM4E (0.34) KDM4EADRA1ANPC1RAB9AALDH1A1
SCHEMBL966727 0.80 KDM4E (0.38) KDM4EKMT2ANPC1RAB9AL3MBTL1
SCHEMBL12919889 0.79 MEN1 (0.42) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL968019 0.79 EGLN1 (0.42) KDM4EMAPTLMNACYP2D6PAX8
SCHEMBL969824 0.79 KDM4E (0.39) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL967559 0.78 LMNA (0.40) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL966035 0.78 EGLN1 (0.42) KDM4ENPC1RAB9AALDH1A1L3MBTL1
SCHEMBL968724 0.76 LMNA (0.43) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL12919885 0.74 CBFB (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US claimed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP 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
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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 ADRA2A 4069/4885ADRA2B 3974/4885ADRA2C 3986/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ADRA2A 4069/4885ADRA2B 3974/4885ADRA2C 3986/4885

“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.