SCHEMBL4515916

SCHEMBL4515916

NC[C@@H]1CN(c2nc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C[C@H]1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.34
CHRM2 P08172 1/20 0.34
DRD1 P21728 1/20 0.34
EEF2K O00418 2/20 0.34
EEF2 P13639 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TOP1 P11387 1/20 0.32
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31
GSK3B P49841 1/20 0.31
RARB P10826 1/20 0.31
TBXAS1 P24557 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL4515910 1.00 DPP4 (0.34) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL4515912 1.00 DPP4 (0.34) DPP4CHRM2DRD1EEF2KEEF2
Hydrochloric Acid SCHEMBL4520597 0.99 DPP4 (0.34) DPP4CHRM2DRD1EEF2KEEF2
Hydrochloric Acid SCHEMBL4520594 0.99 DPP4 (0.34) DPP4CHRM2DRD1EEF2KEEF2
Hydrochloric Acid SCHEMBL4520589 0.99 DPP4 (0.34) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL6498625 0.85 EEF2K (0.39) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL6490387 0.85 EEF2K (0.39) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL6498630 0.85 EEF2K (0.39) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL6492158 0.83 EEF2K (0.37) DPP4CHRM2DRD1EEF2KEEF2
SCHEMBL6497881 0.82 EEF2K (0.36) DPP4CHRM2DRD1EEF2KEEF2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US claimed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US claimed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US claimed
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-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 DPP4 400/4885CHRM2 2292/4885DRD1 67/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS DPP4 398/4885CHRM2 2374/4885DRD1 59/4885

“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.