SCHEMBL4513374

SCHEMBL4513374

CC(C)Nc1cc(N2CCC(NC(=O)OC(C)(C)C)C2)c(F)cc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4D Q6B0I6 5/20 0.40
F10 P00742 1/20 0.40
USP30 Q70CQ3 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
CTSK P43235 2/20 0.39
BTK Q06187 2/20 0.38
JAK3 P52333 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
PARP1 P09874 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL13713226 0.90 PIM1 (0.43) PIM1PIM3PIM2KDM4DF10
SCHEMBL4515875 0.89 F10 (0.42) PIM1PIM3PIM2KDM4DF10
SCHEMBL4514674 0.86 PIM1 (0.40) PIM1PIM3PIM2KDM4DF10
SCHEMBL7514321 0.84 PIM1 (0.39) PIM1PIM3PIM2KDM4DF10
SCHEMBL4504751 0.84 KDM4D (0.45) PIM1PIM3PIM2KDM4DF10
SCHEMBL4504755 0.84 KDM4D (0.45) PIM1PIM3PIM2KDM4DF10
SCHEMBL4515639 0.82 JAK3 (0.40) PIM1PIM3PIM2KDM4DF10
SCHEMBL4505737 0.79 TSHR (0.41) F10USP30
SCHEMBL13713228 0.79 PIM1 (0.43) PIM1PIM3PIM2KDM4DF10
SCHEMBL4519973 0.77 USP30 (0.36) KDM4DF10USP30PARP1IRAK4

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.