SCHEMBL4514575

SCHEMBL4514575

CCc1c(F)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EEF2K O00418 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
JAK3 P52333 3/20 0.36
TYK2 P29597 2/20 0.36
DRD1 P21728 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
HTT P42858 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 1/20 0.34
IKBKB O14920 1/20 0.33

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
SCHEMBL4505813 0.83 TOP2A (0.39) EEF2KJAK2JAK1JAK3TYK2
SCHEMBL12835810 0.80 EEF2K (0.41) ALDH1A1LMNAMEN1KMT2AEEF2K
SCHEMBL12836314 0.80 EEF2K (0.36) ALDH1A1LMNAMEN1KMT2AEEF2K
SCHEMBL4515223 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AEEF2KTOP2ATOP2B
SCHEMBL6647130 0.78 EEF2K (0.37) ALDH1A1EEF2KJAK2JAK1JAK3
SCHEMBL12836318 0.78 EEF2K (0.37) ALDH1A1LMNAMEN1KMT2AEEF2K
SCHEMBL6669096 0.78 JAK2 (0.35) ALDH1A1EEF2KJAK2JAK1JAK3
SCHEMBL4509604 0.76 TOP2A (0.34) ALDH1A1EEF2KTOP2ATOP2BHTT
SCHEMBL6646396 0.75 EEF2K (0.37) EEF2KJAK2JAK1JAK3TYK2
SCHEMBL6668566 0.75 EEF2K (0.37) ALDH1A1EEF2KJAK2JAK1JAK3

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 ALDH1A1 2259/4885LMNA 3553/4885MEN1 3683/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885LMNA 3645/4885MEN1 3666/4885

“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.