SCHEMBL4514632

SCHEMBL4514632

CC(C)(C)OC(=O)NNC(=O)c1cc(Cl)c(N2CCC(C(N)C(=O)OC(C)(C)C)C2)c(Cl)c1NC1CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
DRD3 P35462 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX3 P56373 1/20 0.31
KAT8 Q9H7Z6 2/20 0.31
SUV39H2 Q9H5I1 1/20 0.30
BTK Q06187 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
SCHEMBL4506827 0.92 P2RX3 (0.34) DRD2DRD3NPC1ALDH1A1MAPT
SCHEMBL4500325 0.85 KCNH2 (0.38) P2RX3KAT8BTK
SCHEMBL4501031 0.84 IRAK4 (0.34) DRD2DRD3NPC1ALDH1A1MAPT
SCHEMBL4503103 0.83 KCNH2 (0.40) DRD2DRD3P2RX3
SCHEMBL4514633 0.82 SUV39H2 (0.42) DRD2DRD3SUV39H2
SCHEMBL4510253 0.79 GPR119 (0.37) DRD2DRD3P2RX3KAT8
SCHEMBL4502749 0.76 SUV39H2 (0.40) DRD2KAT8SUV39H2BTK
SCHEMBL4514161 0.76 KDM4D (0.39) DRD2DRD3KAT8SUV39H2BTK
SCHEMBL4519821 0.75 DRD2 (0.35) DRD2DRD3KAT8BTK
SCHEMBL4510256 0.74 P2RX3 (0.33) DRD2DRD3P2RX3KAT8

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 DRD2 81/4885DRD3 40/4885NPC1 2794/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS DRD2 82/4885DRD3 40/4885NPC1 2749/4885

“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.