SCHEMBL4505265

SCHEMBL4505265

CC(C)(C)OC(=O)NN1CCC(CNCC(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
DRD2 P14416 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TGFBR1 P36897 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
RORC P51449 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL8177813 0.80 CTSK (0.39) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL7835242 0.80 CTSK (0.39) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL7835245 0.80 CTSK (0.39) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL572457 0.76 KDM4E (0.55) KDM4EPKMTGFBR1
SCHEMBL15009171 0.75 NR1H2 (0.42) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL16419549 0.75 KMT2A (0.40) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL18767210 0.74 ACKR3 (0.50) KMT2AALDH1A1MEN1
SCHEMBL30965680 0.74 EPHX1 (0.40) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL3625257 0.74 ACACB (0.40) CTSKKMT2AALDH1A1MEN1TSHR
SCHEMBL7441833 0.74 ACACB (0.40) CTSKKMT2AALDH1A1MEN1TSHR

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 CTSK 646/4885KMT2A 1288/4885ALDH1A1 2259/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CTSK 632/4885KMT2A 1212/4885ALDH1A1 2203/4885

“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.