SCHEMBL4501400

SCHEMBL4501400

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.37
KDM4D Q6B0I6 3/20 0.36
PDE10A Q9Y233 2/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
KAT8 Q9H7Z6 3/20 0.36
CTSK P43235 2/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
RET P07949 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
SYK P43405 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 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
SCHEMBL4524720 0.91 CKS1B (0.40) MERTKKDM4DPDE10ACKS1BSKP1
SCHEMBL4502331 0.89 DRD2 (0.38) MERTKKDM4DPDE10ACKS1BSKP1
SCHEMBL4506885 0.87 BTK (0.39) MERTKKDM4DPDE10ACTSKJAK3
SCHEMBL4514161 0.86 KDM4D (0.39) KDM4DKAT8CTSKJAK3BTK
SCHEMBL7514351 0.86 KDM4D (0.35) MERTKKDM4DPDE10ACKS1BSKP1
SCHEMBL4516315 0.83 BTK (0.40) KDM4DKAT8CTSKJAK3BTK
SCHEMBL13713214 0.83 DRD2 (0.43) CTSKDRD2DRD3PIM1PIM3
SCHEMBL4715414 0.82 KDM4D (0.38) KDM4DKAT8CTSKJAK3BTK
SCHEMBL4502749 0.81 SUV39H2 (0.40) KDM4DKAT8CTSKJAK3BTK
SCHEMBL13713227 0.81 TOP1 (0.41) KDM4DCKS1BSKP1SKP2CTSK

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 MERTK 2485/4885KDM4D 1866/4885PDE10A 2473/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS MERTK 2470/4885KDM4D 1744/4885PDE10A 2512/4885

“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.