SCHEMBL4501734

SCHEMBL4501734

Cc1c(NC2CC2)c(C(=O)O)cc(F)c1N1CCC(C(N)C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
SCN5A Q14524 1/20 0.35
DPP4 P27487 1/20 0.35
GPR119 Q8TDV5 3/20 0.33
BTK Q06187 2/20 0.33
MAPK14 Q16539 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GPR6 P46095 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
SCHEMBL4512788 0.90 KCNH2 (0.48) KCNH2GPR119
SCHEMBL4500325 0.89 KCNH2 (0.38) KCNH2DPP4GPR119BTKMAPK14
SCHEMBL4515657 0.82 BTK (0.40) KCNH2BTK
SCHEMBL7511858 0.82 KCNH2 (0.41) KCNH2SCN5ABTKFFAR4GPR6
SCHEMBL4506827 0.80 P2RX3 (0.34) KCNH2SCN5ADPP4GPR119MAPK14
SCHEMBL4509084 0.80 KCNH2 (0.42) KCNH2DPP4GPR119FFAR4
SCHEMBL4501738 0.80 ACACB (0.43) KCNH2
SCHEMBL4503103 0.80 KCNH2 (0.40) KCNH2DPP4GPR119MAPK14
SCHEMBL10572442 0.77 KCNH2 (0.79) KCNH2
SCHEMBL4514369 0.75 BTK (0.38) BTK

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 KCNH2 8/4885SCN5A 470/4885DPP4 400/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885SCN5A 473/4885DPP4 398/4885

“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.