SCHEMBL4500751

SCHEMBL4500751

Cc1c(N2CCC(CNC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)n(NC(=O)OC(C)(C)C)c(=O)n(C3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.38
ACACA Q13085 3/20 0.38
KCNH2 Q12809 5/20 0.37
SCN5A Q14524 1/20 0.37
EEF2K O00418 1/20 0.37

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
SCHEMBL4506720 0.92 KCNH2 (0.39) ACACBACACAKCNH2SCN5A
SCHEMBL4500840 0.91 KCNH2 (0.45) KCNH2
SCHEMBL4518333 0.87 ACACB (0.40) ACACBACACAEEF2K
SCHEMBL4505894 0.87 F10 (0.37) ACACBACACAKCNH2SCN5AEEF2K
SCHEMBL4503926 0.86 PIM1 (0.39) KCNH2SCN5A
SCHEMBL19200323 0.85 KCNH2 (0.41) ACACBACACAKCNH2
SCHEMBL19194786 0.85 KCNH2 (0.41) ACACBACACAKCNH2
SCHEMBL4513118 0.85 EEF2K (0.39) ACACBACACAKCNH2SCN5AEEF2K
SCHEMBL4511744 0.85 SUV39H2 (0.40) ACACBACACA
SCHEMBL19194936 0.84 KCNH2 (0.40) ACACBACACAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 ACACB 4673/4885ACACA 4732/4885KCNH2 8/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ACACB 4662/4885ACACA 4715/4885KCNH2 8/4885

“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.