SCHEMBL1381579

SCHEMBL1381579

Cc1c(F)c(N2CCC(N)C2)cc2c1c(=O)n(N)c(=O)n2C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DYRK1A Q13627 2/20 0.38
PIM3 Q86V86 2/20 0.38
PRKD3 O94806 1/20 0.38
PIM1 P11309 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.38
RPS6KB1 P23443 1/20 0.37
MATK P42679 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
AURKB Q96GD4 1/20 0.37
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
OGFRL1 Q5TC84 3/20 0.32
TOP1 P11387 2/20 0.32

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 SCHEMBL4507307 0.99 KCNH2 (0.38) KCNH2HRH3DYRK1APIM3PRKD3
SCHEMBL4517958 0.86 KCNH2 (0.48) KCNH2HRH3TOP1
SCHEMBL4517956 0.86 KCNH2 (0.48) KCNH2HRH3TOP1
SCHEMBL4517961 0.86 KCNH2 (0.48) KCNH2HRH3TOP1
Hydrochloric Acid SCHEMBL4520750 0.85 KCNH2 (0.47) KCNH2HRH3TOP1
Hydrochloric Acid SCHEMBL4520746 0.85 KCNH2 (0.47) KCNH2HRH3TOP1
Hydrochloric Acid SCHEMBL4520744 0.85 KCNH2 (0.47) KCNH2HRH3TOP1
SCHEMBL4528522 0.83 KCNH2 (0.38) KCNH2HRH3
SCHEMBL1382174 0.83 KCNH2 (0.38) KCNH2HRH3
SCHEMBL7513184 0.83 KCNH2 (0.35) KCNH2HRH3

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
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
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

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 KCNH2 8/4885HRH3 119/4885DYRK1A 152/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885HRH3 127/4885DYRK1A 149/4885

“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.