SCHEMBL4513201

SCHEMBL4513201

Cc1c(N2CC3CCCN(C(=O)OC(C)(C)C)C3C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KCNH2 Q12809 3/20 0.35
SCN5A Q14524 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
SCHEMBL27585764 0.89 BTK (0.41) BTKKCNH2SCN5A
SCHEMBL4524685 0.80 KCNH2 (0.42) KCNH2SCN5A
SCHEMBL4500152 0.79 KCNH2 (0.36) KCNH2SCN5A
SCHEMBL9411065 0.78 NR1H2 (0.37) BTKNR1H2NR1H3
SCHEMBL4513118 0.78 EEF2K (0.39) KCNH2SCN5A
SCHEMBL4513337 0.77 KCNH2 (0.43) KCNH2SCN5A
SCHEMBL6363903 0.76 KCNH2 (0.43) KCNH2SCN5A
SCHEMBL4511364 0.76 KCNH2 (0.42) KCNH2SCN5A
SCHEMBL4516454 0.76 KCNH2 (0.40) KCNH2SCN5A
SCHEMBL4518369 0.76 KCNH2 (0.40) KCNH2SCN5A

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 BTK 2073/4885NR1H2 2832/4885NR1H3 3401/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS BTK 2046/4885NR1H2 2818/4885NR1H3 3390/4885

“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.