SCHEMBL1384479

SCHEMBL1384479

CC1COc2c(N3CC[C@H](N)C3)c(F)cc3c(=O)n(N)c(=O)n1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
PIM3 Q86V86 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
AADAT Q8N5Z0 2/20 0.43
TOP2A P11388 9/20 0.40
TOP2B Q02880 7/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TUBB4A P04350 1/20 0.39
POLB P06746 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL7593551 1.00 PIM1 (0.44) PIM1GSK3AGSK3BPIM3CSNK1G1
Hydrochloric Acid SCHEMBL4502759 0.99 PIM1 (0.43) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL6798121 0.89 PIM1 (0.45) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL7516623 0.87 AADAT (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL4519527 0.87 KCNH2 (0.46) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1382964 0.87 AADAT (0.41) PIM1GSK3AGSK3BPIM3CSNK1G1
Hydrochloric Acid SCHEMBL4501229 0.86 KCNH2 (0.45) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5459852 0.82 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14444889 0.82 AADAT (0.38) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1380757 0.82 PIM1 (0.45) PIM1GSK3AGSK3BPIM3CSNK1G1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US claimed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US claimed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP claimed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO claimed
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
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 PIM1 2415/4885GSK3A 4506/4885GSK3B 4587/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS PIM1 2400/4885GSK3A 4506/4885GSK3B 4587/4885

“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.