SCHEMBL4524720

SCHEMBL4524720

CCOc1c(NC2CC2)c(C(=O)O)cc(F)c1N1CCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KDM4D Q6B0I6 4/20 0.38
CTSK P43235 2/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MERTK Q12866 1/20 0.36
TOP1 P11387 1/20 0.36
RET P07949 1/20 0.36
PDE10A Q9Y233 2/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
SYK P43405 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 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
SCHEMBL4502331 0.92 DRD2 (0.38) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL4501400 0.91 MERTK (0.37) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL13713227 0.90 TOP1 (0.41) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL7514351 0.89 KDM4D (0.35) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL4512140 0.87 CTSK (0.41) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL5835111 0.87 CTSK (0.41) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL4515657 0.87 BTK (0.40) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL4502633 0.86 KDM4D (0.40) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL4502626 0.86 KDM4D (0.40) CKS1BSKP1SKP2KDM4DCTSK
SCHEMBL13713214 0.85 DRD2 (0.43) CTSKDRD2DRD3PIM1PIM3

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 CKS1B 1325/4885SKP1 3141/4885SKP2 823/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CKS1B 1239/4885SKP1 2941/4885SKP2 803/4885

“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.