SCHEMBL4500327

SCHEMBL4500327

Cc1c(NC2CC2)c(C(=O)NNC(=O)OC(C)(C)C)cc(F)c1N1CCC(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.42
ACACA Q13085 10/20 0.42
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
MDM2 Q00987 1/20 0.35
F10 P00742 1/20 0.35
DRD2 P14416 2/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL4506830 0.92 ACACB (0.41) ACACBACACACKS1BSKP1SKP2
SCHEMBL4503107 0.91 ACACB (0.40) ACACBACACACKS1BSKP1SKP2
SCHEMBL4501738 0.91 ACACB (0.43) ACACBACACACKS1BSKP1SKP2
SCHEMBL4506561 0.88 ACACB (0.40) ACACBACACACKS1BSKP1SKP2
SCHEMBL4506885 0.87 BTK (0.39) F10
SCHEMBL4525305 0.87 PRMT5 (0.39) ACACBACACASUV39H2F10DRD2
SCHEMBL4514633 0.85 SUV39H2 (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL4508683 0.84 ACACB (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL4500325 0.83 KCNH2 (0.38)
SCHEMBL4512791 0.81 KCNH2 (0.43) ACACBACACACKS1BSKP1SKP2

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 ACACB 4673/4885ACACA 4732/4885CKS1B 1325/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ACACB 4662/4885ACACA 4715/4885CKS1B 1239/4885

“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.