SCHEMBL4517296

SCHEMBL4517296

CC(C)(C)OC(=O)NC1CCN(c2c(Cl)cc3c(=O)n(NC(=O)OC(C)(C)C)c(=O)n(C4CC4)c3c2F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
F10 P00742 1/20 0.38
SUV39H2 Q9H5I1 12/20 0.38
KDM4D Q6B0I6 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
CTSK P43235 2/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 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
SCHEMBL4513702 0.89 F10 (0.39) PIM1PIM3PIM2F10SUV39H2
SCHEMBL4513734 0.89 SUV39H2 (0.39) PIM1PIM3PIM2SUV39H2KDM4D
SCHEMBL4503926 0.87 PIM1 (0.39) PIM1PIM3PIM2F10OPRM1
SCHEMBL4511879 0.86 PIM1 (0.46) PIM1PIM3PIM2F10SUV39H2
SCHEMBL4502546 0.85 KCNH2 (0.40) PIM1PIM3PIM2F10OPRM1
SCHEMBL7551605 0.85 KCNH2 (0.40) PIM1PIM3PIM2F10OPRM1
SCHEMBL4510225 0.85 CTSK (0.41) PIM1PIM3PIM2F10SUV39H2
SCHEMBL4510170 0.84 PIM1 (0.39) PIM1PIM3PIM2F10KDM4D
SCHEMBL4510160 0.84 PIM1 (0.39) PIM1PIM3PIM2F10KDM4D
SCHEMBL4514840 0.83 PIM1 (0.36) PIM1PIM3PIM2F10KDM4D

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 PIM1 2415/4885PIM3 1223/4885PIM2 1296/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS PIM1 2400/4885PIM3 1271/4885PIM2 1336/4885

“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.