SCHEMBL967751

SCHEMBL967751

COc1ccc(Nc2nc(-c3nnc(Cc4ccccc4)o3)c(OC)c3ncccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
ABCG2 Q9UNQ0 3/20 0.46
KDR P35968 8/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY5R Q15761 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL970052 0.90 RAB9A (0.47) RAB9AABCG2KDRKMT2AMEN1
SCHEMBL969722 0.81 RAB9A (0.45) RAB9AMAPTNPC1ALDH1A1EGFR
SCHEMBL967981 0.71 PRMT5 (0.37) RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL967547 0.69 AURKA (0.39) RAB9AKDRMAPTNPC1ALDH1A1
SCHEMBL754600 0.68 RAB9A (0.49) RAB9AMAPTNPC1NPSR1EGFR
SCHEMBL970508 0.67 L3MBTL1 (0.42) RAB9AMAPTNPC1NPSR1HPGD
SCHEMBL967602 0.64 TP53 (0.39) RAB9AMAPTNPC1NPSR1HPGD
SCHEMBL966890 0.64 TP53 (0.39) RAB9AMAPTNPC1NPSR1HPGD
SCHEMBL13255481 0.64 SMN1; SMN2 (0.47) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL968017 0.63 RAB9A (0.49) RAB9AMAPTNPC1ALDH1A1HPGD

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 6 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-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
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 RAB9A 2668/4885ABCG2 1613/4885KDR 2894/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RAB9A 2668/4885ABCG2 1613/4885KDR 2894/4885

“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.