SCHEMBL1384669

SCHEMBL1384669

NC1CCN(c2cc3c(cc2F)c(=O)n(N)c(=O)n3C2CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
PIM3 Q86V86 2/20 0.49
PRKD3 O94806 1/20 0.49
IRAK1 P51617 1/20 0.49
RPS6KA3 P51812 1/20 0.49
DYRK1A Q13627 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.49
TOP1 P11387 2/20 0.48
ALDH1A1 P00352 3/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1384667 1.00 PIM1 (0.49) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL4505624 0.99 PIM1 (0.48) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL4505619 0.99 PIM1 (0.48) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL13713252 0.87 PIM1 (0.51) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6800209 0.87 PIM1 (0.51) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL4517467 0.85 TOP1 (0.65) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL4524334 0.84 TOP1 (0.64) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL1381298 0.80 KCNH2 (0.46) PIM1GSK3AGSK3BPIM3ALDH1A1
SCHEMBL1385539 0.80 ALDH1A1 (0.56) PIM1GSK3AGSK3BPIM3TOP1
SCHEMBL1381579 0.80 KCNH2 (0.39) PIM1GSK3AGSK3BPIM3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP 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.