SCHEMBL4514161

SCHEMBL4514161

CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(Cl)c1NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.39
SUV39H2 Q9H5I1 7/20 0.38
CTSK P43235 2/20 0.38
KAT8 Q9H7Z6 3/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
DRD2 P14416 2/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
F10 P00742 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4516315 0.97 BTK (0.40) KDM4DSUV39H2CTSKKAT8JAK3
SCHEMBL4715414 0.95 KDM4D (0.38) KDM4DSUV39H2CTSKKAT8JAK3
SCHEMBL4506885 0.90 BTK (0.39) KDM4DCTSKJAK3BTKPIM1
SCHEMBL4502626 0.90 KDM4D (0.40) KDM4DSUV39H2CTSKJAK3BTK
SCHEMBL4502633 0.90 KDM4D (0.40) KDM4DSUV39H2CTSKJAK3BTK
SCHEMBL4515639 0.90 JAK3 (0.40) KDM4DSUV39H2CTSKKAT8JAK3
SCHEMBL4515547 0.89 KAT8 (0.38) KDM4DKAT8BTKDRD2DRD3
SCHEMBL4519821 0.88 DRD2 (0.35) KAT8JAK3BTKDRD2F10
SCHEMBL4502749 0.88 SUV39H2 (0.40) KDM4DSUV39H2CTSKKAT8JAK3
SCHEMBL4510256 0.87 P2RX3 (0.33) KDM4DKAT8DRD2DRD3

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 KDM4D 1866/4885SUV39H2 1834/4885CTSK 646/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS KDM4D 1744/4885SUV39H2 1714/4885CTSK 632/4885

“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.