SCHEMBL969722

SCHEMBL969722

COc1c(-c2nnc(Cc3ccccc3)o2)nc(Br)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 4/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PAX8 Q06710 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL967751 0.81 RAB9A (0.48) RAB9ANPC1HPGDSMN1; SMN2MAPT
SCHEMBL967981 0.79 PRMT5 (0.37) RAB9ANPC1HPGDSMN1; SMN2TSHR
SCHEMBL966356 0.78 LMNA (0.41) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL967547 0.76 AURKA (0.39) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL754600 0.72 RAB9A (0.49) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL970052 0.70 RAB9A (0.47) RAB9ANPC1L3MBTL1SMN1; SMN2MAPT
SCHEMBL968017 0.68 RAB9A (0.49) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL967522 0.68 ACHE (0.42) RAB9AL3MBTL1HPGDSMN1; SMN2MAPT
SCHEMBL13255481 0.67 SMN1; SMN2 (0.47) RAB9ANPC1L3MBTL1HPGDSMN1; SMN2
SCHEMBL971586 0.66 GRIA1 (0.44) ALDH1A1KDM4E

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 2668/4885NPC1 220/4885L3MBTL1 2808/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RAB9A 2668/4885NPC1 220/4885L3MBTL1 2808/4885

“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.