SCHEMBL4512083

SCHEMBL4512083

CC1CCc2c(N3CC[C@@H]([C@H](C)N)C3)c(F)cc3c(=O)n(N)c(=O)n1c23

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
LMNA P02545 1/20 0.39
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34

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 SCHEMBL4509751 0.99 KCNH2 (0.46) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1380757 0.86 PIM1 (0.45) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL13713145 0.86 PIM1 (0.45) LMNAPIM1GSK3AGSK3BPIM3
SCHEMBL4519527 0.83 KCNH2 (0.46) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13713235 0.83 LMNA (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4501229 0.83 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7094243 0.82 KCNH2 (0.45) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4519616 0.81 KCNH2 (0.65) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1382153 0.81 KCNH2 (0.65) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4519620 0.81 KCNH2 (0.65) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KCNH2 8/4885CYP1A2 689/4885CYP3A4 1188/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885CYP1A2 673/4885CYP3A4 1134/4885

“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.