SCHEMBL4505507

SCHEMBL4505507

CC(c1ccccc1)N1CC2CC2(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.39
CTSK P43235 3/20 0.39
CTSS P25774 1/20 0.39
KMT2A Q03164 2/20 0.37
CPB2 Q96IY4 1/20 0.37
SYK P43405 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CXCR3 P49682 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36

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
SCHEMBL7498641 0.81 UTS2R (0.37) UTS2RCTSKCTSSKMT2ASYK
SCHEMBL31401115 0.80 KMT2A (0.39) UTS2RCTSKCTSSKMT2A
SCHEMBL6008976 0.80 KMT2A (0.39) UTS2RCTSKCTSSKMT2A
SCHEMBL9178875 0.79 NPFFR1 (0.50) KMT2ASYKNPFFR1NPFFR2
SCHEMBL4748856 0.75 DPP8 (0.36) UTS2RCTSKCTSSKMT2ACPB2
SCHEMBL2670527 0.75 DPP8 (0.36) UTS2RCTSKCTSSKMT2ACPB2
SCHEMBL4748025 0.74 KMT2A (0.36) UTS2RCTSKKMT2A
SCHEMBL3179042 0.74 EPHX2 (0.40) UTS2RCTSKCTSSKMT2A
SCHEMBL3179052 0.74 EPHX2 (0.40) UTS2RCTSKCTSSKMT2A
SCHEMBL28219353 0.74 EPHX2 (0.40) UTS2RCTSKCTSSKMT2A

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 UTS2R 1625/4885CTSK 646/4885CTSS 2581/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS UTS2R 1699/4885CTSK 632/4885CTSS 2585/4885

“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.