SCHEMBL4512894

SCHEMBL4512894

CC(C)N(CC1CCN(c2cc(NC3CC3)c(C(=O)NNC(=O)OC(C)(C)C)cc2F)C1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.33
HRAS P01112 1/20 0.33
KRAS P01116 1/20 0.33
SCN9A Q15858 2/20 0.33
KAT8 Q9H7Z6 4/20 0.32
KAT7 O95251 1/20 0.31
IRAK4 Q9NWZ3 4/20 0.31
P2RX3 P56373 1/20 0.31
ACACB O00763 2/20 0.31
TNF P01375 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
ACACA Q13085 1/20 0.30
F10 P00742 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
SCHEMBL4517066 0.87 PDE6D (0.34) PDE6DHRASKRASSCN9AACACB
SCHEMBL4508683 0.85 ACACB (0.42) IRAK4ACACBTNFACACAF10
SCHEMBL4516056 0.84 KAT7 (0.34) SCN9AKAT8KAT7P2RX3KAT6A
SCHEMBL4500109 0.82 PDE10A (0.35) KAT8KAT6AALDH1A1HTT
SCHEMBL4500116 0.82 PDE10A (0.35) KAT8KAT6AALDH1A1HTT
SCHEMBL4505737 0.81 TSHR (0.41) ALDH1A1HTTF10
SCHEMBL4526760 0.80 IRAK1 (0.40) SCN9AIRAK4ACACBTNFACACA
SCHEMBL4515875 0.78 F10 (0.42) KAT8F10
SCHEMBL4526756 0.78 F10 (0.34) SCN9AP2RX3ACACBALDH1A1HTT
SCHEMBL4519973 0.77 USP30 (0.36) KAT8IRAK4TNFKAT6AKAT5

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 PDE6D 1212/4885HRAS 269/4885KRAS 351/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS PDE6D 1219/4885HRAS 278/4885KRAS 363/4885

“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.