SCHEMBL4512580

SCHEMBL4512580

CCc1c(F)c(F)cc(C(N)=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.38
▸ PARP1 P09874 4/20 0.38
▸ MAP2K2 P36507 2/20 0.35
▸ MAP2K1 Q02750 2/20 0.35
▸ CES2 O00748 2/20 0.34
▸ CES1 P23141 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CD38 P28907 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 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
SCHEMBL27856987 0.91 DGAT1 (0.39) DGAT1PARP1MAP2K2MAP2K1CES2
SCHEMBL4506073 0.83 KEAP1 (0.39) CES2CES1TSHRLMNA
SCHEMBL29175217 0.81 DGAT1 (0.38) DGAT1PARP1MAP2K2MAP2K1CES2
SCHEMBL28388849 0.78 DGAT1 (0.42) DGAT1PARP1MAP2K2MAP2K1CES2
SCHEMBL13341770 0.77 TSHR (0.46) TSHRLMNAHTT
SCHEMBL29175224 0.76 DGAT1 (0.37) DGAT1MAP2K2MAP2K1CD38LMNA
SCHEMBL28085635 0.76 DGAT1 (0.45) DGAT1PARP1MAP2K2MAP2K1CES2
SCHEMBL829400 0.76 DGAT1 (0.45) DGAT1PARP1MAP2K2MAP2K1CES2
SCHEMBL7513643 0.75 MEN1 (0.31) —
SCHEMBL1548068 0.75 CA1 (0.33) CES2CES1

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 7 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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 — — WO 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 DGAT1 3490/4885PARP1 2716/4885MAP2K2 1202/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS DGAT1 3430/4885PARP1 2688/4885MAP2K2 1300/4885

“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.

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