SCHEMBL4501031

SCHEMBL4501031

CC(C)(C)OC(=O)NNC(=O)c1cc(Cl)c(N2CCC(C(N)C(=O)OC(C)(C)C)C2)cc1NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 1/20 0.33
KAT8 Q9H7Z6 2/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
ACACB O00763 2/20 0.32
CCR1 P32246 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4526756 0.86 F10 (0.34) ACACBALDH1A1MAPTHTTP2RX3
SCHEMBL4514632 0.84 DRD2 (0.32) DRD2DRD3KAT8SUV39H2NPC1
SCHEMBL4501034 0.81 DRD2 (0.42) DRD2DRD3SUV39H2ACACB
SCHEMBL4506827 0.80 P2RX3 (0.34) DRD2DRD3KAT8NPC1ALDH1A1
SCHEMBL4500325 0.77 KCNH2 (0.38) KAT8P2RX3
SCHEMBL4503103 0.76 KCNH2 (0.40) DRD2DRD3P2RX3
SCHEMBL7552767 0.74 ALDH1A1 (0.34) ACACBALDH1A1MAPTMAPK1HTT
SCHEMBL4515096 0.74 KAT6A (0.39) IRAK4CA12CA1CA2CA3
SCHEMBL4505737 0.73 TSHR (0.41) ALDH1A1MAPTHTT
SCHEMBL4515836 0.72 ALDH1A1 (0.33) IRAK4ALDH1A1MAPTHTT

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 IRAK4 2800/4885DRD2 81/4885DRD3 40/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS IRAK4 2776/4885DRD2 82/4885DRD3 40/4885

“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.