SCHEMBL4521087

SCHEMBL4521087

Cc1c(N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.36
SCN5A Q14524 1/20 0.35
KCNH2 Q12809 4/20 0.34
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 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
SCHEMBL4514164 0.87 KCNH2 (0.38) SCN5AKCNH2
SCHEMBL4514636 0.86 SCN5A (0.37) SCN5AKCNH2
SCHEMBL4506825 0.85 KCNH2 (0.38) SCN5AKCNH2
SCHEMBL4514024 0.85 KCNH2 (0.37) SCN5AKCNH2
SCHEMBL4713787 0.84 KCNH2 (0.39) SCN5AKCNH2
SCHEMBL1382207 0.84 KCNH2 (0.40) SCN5AKCNH2
Hydrochloric Acid SCHEMBL4501179 0.83 KCNH2 (0.40) SCN5AKCNH2
SCHEMBL4516635 0.80 KCNH2 (0.36) SCN5AKCNH2
SCHEMBL1382223 0.78 KCNH2 (0.42) SCN5AKCNH2
SCHEMBL4526361 0.78 KCNH2 (0.36) KCNH2OPRM1

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 5 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

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 CCR5 2528/4885SCN5A 470/4885KCNH2 8/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CCR5 2596/4885SCN5A 473/4885KCNH2 8/4885

“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.