SCHEMBL4500325

SCHEMBL4500325

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
DPP4 P27487 1/20 0.33
P2RX3 P56373 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
BTK Q06187 2/20 0.32
MAPK14 Q16539 1/20 0.31
USP30 Q70CQ3 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL4506827 0.91 P2RX3 (0.34) KCNH2DPP4P2RX3GPR119MAPK14
SCHEMBL4503103 0.91 KCNH2 (0.40) KCNH2DPP4P2RX3GPR119MAPK14
SCHEMBL4501734 0.89 KCNH2 (0.46) KCNH2DPP4GPR119BTKMAPK14
SCHEMBL4506885 0.85 BTK (0.39) KCNH2BTKUSP30
SCHEMBL4514632 0.85 DRD2 (0.32) P2RX3BTKKAT8
SCHEMBL4500327 0.83 ACACB (0.42)
SCHEMBL4510253 0.80 GPR119 (0.37) P2RX3GPR119KAT8
SCHEMBL4526756 0.80 F10 (0.34) DPP4P2RX3BTKUSP30
SCHEMBL4512788 0.79 KCNH2 (0.48) KCNH2GPR119
SCHEMBL28750386 0.77 BTK (0.39) KCNH2BTKUSP30

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 8/4885DPP4 400/4885P2RX3 1560/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KCNH2 8/4885DPP4 398/4885P2RX3 1549/4885

“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.