SCHEMBL4515374

SCHEMBL4515374

CC(NC(=O)OC(C)(C)C)C1(F)CCNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CTSL P07711 3/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CTSK P43235 10/20 0.33
▸ CTSS P25774 4/20 0.33
▸ APLNR P35414 1/20 0.33
▸ CTSB P07858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PREP P48147 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL13713182 0.84 CA1 (0.34) CA1CA2CA7CTSLCYP2D6
SCHEMBL4513661 0.82 CA1 (0.37) CA1CA2CA7CTSLCYP2D6
SCHEMBL13713177 0.81 CA1 (0.39) CA1CA2CA7CTSLCYP2D6
SCHEMBL27577577 0.79 PIM1 (0.38) KMT2A
SCHEMBL27774354 0.74 CA1 (0.42) CA1CA2CA7CTSLCYP2D6
SCHEMBL31498811 0.74 CA1 (0.42) CA1CA2CA7CTSLCYP2D6
SCHEMBL30220920 0.74 CA1 (0.42) CA1CA2CA7CTSLCYP2D6
SCHEMBL25663609 0.72 CA1 (0.46) CA1CA2CA7CTSLCYP2D6
SCHEMBL4717921 0.71 PREP (0.40) CA1CA2CA7CTSLCYP2D6
SCHEMBL15829377 0.70 CA1 (0.45) CA1CA2CA7CTSLCYP2D6

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 7 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
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 CA1 4724/4885CA2 1852/4885CA7 1442/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CA1 4728/4885CA2 1875/4885CA7 1444/4885

“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.

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