SCHEMBL6780202

SCHEMBL6780202

CCOC(=O)c1cnc2nc(C)c(Br)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
DPP4 P27487 3/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8566663 0.87 KMT2A (0.51) KDM4ETSHRALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL7507492 0.84 KDM4E (0.44) KDM4ETSHRALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL8322260 0.84 DPP4 (0.48) KDM4ETSHRHSP90AA1DPP4RAB9A
SCHEMBL8324234 0.81 DPP4 (0.51) KDM4ETSHRSMN1; SMN2HSP90AA1DPP4
SCHEMBL1905334 0.78 KMT2A (0.49) KDM4ETSHRALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL8558823 0.77 PDE4B (0.59) ALDH1A1SMN1; SMN2NPSR1NPC1TP53
SCHEMBL11393991 0.77 MAPT (0.48) KDM4EALDH1A1MAPK1NPSR1TP53
SCHEMBL2911498 0.77 MEN1 (0.52) KDM4EALDH1A1SMN1; SMN2DPP4MAPK1
Hydrochloric Acid SCHEMBL8567867 0.77 PDE4B (0.58) ALDH1A1SMN1; SMN2NPSR1NPC1TP53
SCHEMBL19783662 0.76 THRB (0.45) KDM4EALDH1A1DPP4MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693114-B2 N-(4-CHLOROBENZYL)-6-(3-HYDROXY-1-PROPYNYL)-1-7-DIMETHYL-4-OXO-1,4 -DIHYDRO(1,8) NAPHTHYRIDINE-3-CARBOXAMIDE FOR EXAMPLE; INHIBITING VIRAL DNA POLYMERASE; TREATING HERPES VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY 2004-02-17 US disclosed
EP-1265895-A1 4-OXO-1,4-DIHYDRO 1,8]NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
EP-1265896-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-20020177604-A1 4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamides as antiviral agents VAILLANCOURT VALERIE A (US) 2002-11-28 US disclosed
US-6451811-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-09-17 US disclosed
US-6413958-B2 FOR TREATMENT/PREVENTION OF INFECTION OF HERPES SIMPLEX VIRUS, VARICELLA ZOSTER VIRUS, HUMAN CYTOMEGALOVIRUS, OR EPSTEIN-BARR VIRUS; ENZYME INHIBITORS PHARMACIA & UPJOHN COMPANY 2002-07-02 US disclosed
US-20020019413-A1 4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US disclosed
US-20020007066-A1 4-hydroxy-1,8-naphthyridine-3-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
WO-2001074816-A1 4-OXO-1,4-DIHYDRO[1,8]NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-11 WO disclosed
WO-2001070742-A1 4-HYDROXY-1,8-NAPHTHYRIDINE-3-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO disclosed
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 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 (3 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-20020019413-A1 4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamides as antiviral agents IRF3, ZC3HAV1, EIF2AK2 KDM4E 273/4885TSHR 4800/4885ALDH1A1 783/4885
US-20020177604-A1 4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamides as antiviral agents IRF3, ZC3HAV1, EIF2AK2 KDM4E 273/4885TSHR 4800/4885ALDH1A1 783/4885
US-20020007066-A1 4-hydroxy-1,8-naphthyridine-3-carboxamides as antiviral agents CNR1, HAVCR2, NR1H4 KDM4E 1068/4885TSHR 755/4885ALDH1A1 3837/4885

“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.