SCHEMBL4510253

SCHEMBL4510253

CC(CNC(=O)OC(C)(C)C)[C@H]1CCN(c2c(F)cc(C(=O)NNC(=O)OC(C)(C)C)c(NC3CC3)c2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.37
P2RX3 P56373 1/20 0.36
KAT8 Q9H7Z6 6/20 0.33
DHODH Q02127 1/20 0.33
KAT6A Q92794 2/20 0.32
KAT5 Q92993 1/20 0.32
F10 P00742 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL4506827 0.88 P2RX3 (0.34) GPR119P2RX3KAT8DRD2DRD3
SCHEMBL4506830 0.86 ACACB (0.41) KAT8DRD2
SCHEMBL4514161 0.84 KDM4D (0.39) KAT8F10DRD2DRD3
SCHEMBL4525305 0.83 PRMT5 (0.39) F10DRD2
SCHEMBL4519821 0.83 DRD2 (0.35) KAT8KAT6AKAT5F10DRD2
SCHEMBL4510256 0.82 P2RX3 (0.33) P2RX3KAT8KAT6AKAT5DRD2
SCHEMBL4510245 0.82 P2RX3 (0.33) P2RX3KAT8KAT6AKAT5DRD2
SCHEMBL4516056 0.81 KAT7 (0.34) P2RX3KAT8KAT6AKAT5DRD2
SCHEMBL4516315 0.81 BTK (0.40) KAT8F10
SCHEMBL4506564 0.80 KAT6A (0.37) KAT8KAT6A

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 GPR119 3411/4885P2RX3 1560/4885KAT8 74/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS GPR119 3496/4885P2RX3 1549/4885KAT8 79/4885

“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.