SCHEMBL6708302

SCHEMBL6708302

CCN(CC)CCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.81
POLA1 P09884 2/20 0.81
F2 P00734 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 2/20 0.41
MLLT1 Q03111 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
SCHEMBL6668773 0.93 KCNH2 (0.83) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6706716 0.89 POLA1 (1.00) KCNH2POLA1F2MEN1KMT2A
SCHEMBL30419552 0.89 KCNH2 (1.00) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6666985 0.89 KCNH2 (1.00) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6669876 0.88 KCNH2 (0.89) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6707899 0.88 KCNH2 (0.81) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6706361 0.88 POLA1 (0.94) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6672185 0.88 KCNH2 (0.91) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6706433 0.88 KCNH2 (0.87) KCNH2POLA1F2MEN1KMT2A
SCHEMBL6707912 0.87 KCNH2 (0.82) KCNH2POLA1F2MEN1KMT2A

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-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US claimed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US claimed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP claimed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US claimed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US claimed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 WO claimed
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US disclosed
US-6683181-B2 MIXING POLYSTYRENE-TOSYL CHLORIDE RESIN WITH C2-12ALKYNOL; REACTING WITH AMINE TO MAKE CHEMICAL INTERMEDIATE; HERPES VIRUS TREATMENT PHARMACIA AND UPJOHN COMAPNY 2004-01-27 US disclosed
US-20030153561-A1 Pyrroloquinolones as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-14 US disclosed
EP-1299386-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-6525049-B2 Such as N-(4-chlorobenzyl)-2-(hydroxymethyl)-6-oxo-6H-pyrrolo (3,2,1-ij)quinoline-5-carboxamide for treatment of herpes PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-20020055636-A1 Pyrroloquinolones as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-05-09 US disclosed
WO-2002002558-A1 PYRROLOQUINOLONES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 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-20030153561-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 KCNH2 1395/4885POLA1 18/4885F2 3325/4885
US-20020055636-A1 Pyrroloquinolones as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 KCNH2 1395/4885POLA1 18/4885F2 3325/4885
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, TGFB1 KCNH2 4238/4885POLA1 2852/4885F2 614/4885

“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.