SCHEMBL1381572

SCHEMBL1381572

N#Cc1c(N2CCC(N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 3/20 0.42
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PIM3 Q86V86 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
KDM1A O60341 2/20 0.38
TOP2A P11388 5/20 0.35
TOP2B Q02880 3/20 0.35
TOP1 P11387 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL4524403 0.99 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1381298 0.85 KCNH2 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1385539 0.85 ALDH1A1 (0.56) ALDH1A1POLBCHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL4516448 0.84 ALDH1A1 (0.55) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1381208 0.83 TOP1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL4503671 0.82 TOP1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL13713143 0.82 ALDH1A1 (0.52) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1380398 0.81 ALDH1A1 (0.41) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL17494385 0.80 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL17494387 0.80 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1

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 13 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
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN 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
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
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN 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 ALDH1A1 2259/4885POLB 1541/4885CHRM2 2292/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885POLB 1601/4885CHRM2 2374/4885

“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.