SCHEMBL4501494

SCHEMBL4501494

CCOC(=O)c1cc(F)c(N2CCC(CNC(=O)OC(C)(C)C)C2)c(OC)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.41
ACACA Q13085 6/20 0.41
SUV39H2 Q9H5I1 3/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KCNH2 Q12809 1/20 0.39
TOP1 P11387 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
IRAK1 P51617 1/20 0.36

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
SCHEMBL4509087 0.90 ACACB (0.42) ACACBACACASUV39H2CKS1BSKP1
SCHEMBL4515983 0.89 SUV39H2 (0.38) ACACBACACASUV39H2CKS1BSKP1
SCHEMBL4510781 0.86 DRD2 (0.43) SUV39H2DRD2DRD3
SCHEMBL4506561 0.84 ACACB (0.40) ACACBACACASUV39H2CKS1BSKP1
SCHEMBL4501493 0.81 KCNH2 (0.44) KCNH2ALDH1A1MAPT
SCHEMBL4512791 0.80 KCNH2 (0.43) ACACBACACASUV39H2CKS1BSKP1
SCHEMBL4509897 0.79 CKS1B (0.41) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL4503107 0.78 ACACB (0.40) ACACBACACASUV39H2CKS1BSKP1
SCHEMBL6183620 0.77 DRD2 (0.35) DRD2DRD3ALDH1A1MAPT
SCHEMBL6183624 0.77 DRD2 (0.35) DRD2DRD3ALDH1A1MAPT

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 4732/4885SUV39H2 1834/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ACACB 4662/4885ACACA 4715/4885SUV39H2 1714/4885

“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.