SCHEMBL4526173

SCHEMBL4526173

CCOC(=O)c1c(F)cc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)c1NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4D Q6B0I6 7/20 0.40
F10 P00742 1/20 0.38
CTSK P43235 2/20 0.38
SYK P43405 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MAP4K4 O95819 2/20 0.37
SUV39H2 Q9H5I1 1/20 0.37

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
SCHEMBL4526177 1.00 PIM1 (0.41) PIM1PIM3PIM2KDM4DF10
SCHEMBL4500462 0.90 PIM1 (0.45) PIM1PIM3PIM2KDM4DF10
SCHEMBL4500455 0.90 PIM1 (0.45) PIM1PIM3PIM2KDM4DF10
SCHEMBL4521853 0.88 PIM1 (0.43) PIM1PIM3PIM2KDM4DF10
SCHEMBL4521850 0.88 PIM1 (0.43) PIM1PIM3PIM2KDM4DF10
SCHEMBL4506138 0.85 PIM1 (0.43) PIM1PIM3PIM2KDM4DF10
SCHEMBL4516445 0.82 CTSK (0.38) PIM1PIM3PIM2KDM4DCTSK
SCHEMBL4516438 0.82 CTSK (0.38) PIM1PIM3PIM2KDM4DCTSK
SCHEMBL4515184 0.82 PIM1 (0.44) PIM1PIM3PIM2KDM4DF10
SCHEMBL4514369 0.81 BTK (0.38) PIM1PIM3PIM2KDM4DCTSK

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 8 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
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 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.