SCHEMBL4513316

SCHEMBL4513316

CC(C)(C)OC(=O)NC1C2CN(c3c(F)cc4c(=O)n(NC(=O)OC(C)(C)C)c(=O)n(C5CC5)c4c3Cl)CC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
F10 P00742 1/20 0.33
KDM4D Q6B0I6 2/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PRKDC P78527 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL4515993 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4515999 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4515982 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4513702 0.89 F10 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4515457 0.88 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4510440 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4510302 0.86 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4500569 0.85 KDM1A (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4500565 0.85 KDM1A (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4500560 0.85 KDM1A (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 689/4885CYP3A4 1188/4885CYP2D6 730/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CYP1A2 673/4885CYP3A4 1134/4885CYP2D6 694/4885

“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.