SCHEMBL4518331

SCHEMBL4518331

CC(C)(C)OC(=O)Nn1c(=O)c2cc(F)c(N3CCC(C(N)C(=O)OC(C)(C)C)C3)cc2n(C2CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
PRKD3 O94806 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 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
SCHEMBL4518333 0.82 ACACB (0.40)
SCHEMBL4511742 0.82 KCNH2 (0.39) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4504486 0.77 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4505948 0.77 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4504495 0.77 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4513679 0.76 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4527079 0.76 CYP1A2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4515985 0.76 CYP1A2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4527072 0.76 CYP1A2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4524232 0.76 PIM1 (0.42) PRKD3PIM1GSK3AGSK3BIRAK1

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 5 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

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 KCNH2 8/4885PRKD3 347/4885PIM1 2415/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885PRKD3 333/4885PIM1 2400/4885

“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.